Compound Identification
SMILES
COC1=CC(C=CC2C3=CCC4C(C3CC3C(=O)N(NC5=CC=C(F)C=C5)C(=O)C23C2=CC=C(Cl)C=C2)C(=O)N(C4=O)C2=CC(=C(N(C)C)C(=C2)[N+]([O-])=O)[N+]([O-])=O)=CC(OC)=C1O
InChIKey
InChIKey=QUEWTJSXTBELAW-UHFFFAOYSA-N
Formula
C44H38ClFN6O11
Mass
881.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
Phenylpyrrolidines Dimethoxybenzenes Isoindolones Methoxyphenols Nitrobenzenes Styrenes Anisoles Dialkylarylamines Phenylhydrazines Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides N-substituted carboxylic acid imides Aryl fluorides Pyrrolidine-2-ones Pyrroles Dicarboximides Lactams Amino acids and derivatives Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organic zwitterions Organic salts Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitroaniline - 3-phenylpyrrolidine - 1-phenylpyrrolidine - Dimethoxybenzene - M-dimethoxybenzene - Methoxyphenol - Isoindolone - Nitrobenzene - Isoindole or derivatives - Isoindoline - Methoxybenzene - Styrene - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Phenol ether - Phenylhydrazine - Anisole - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Phenol - 2-pyrrolidone - Pyrrolidone - Aryl chloride - Aryl fluoride - Aryl halide - Carboxylic acid imide, n-substituted - Pyrrolidine - Pyrrole - Dicarboximide - Carboxylic acid imide - Amino acid or derivatives - Tertiary amine - Carboxylic acid hydrazide - Lactam - Organic nitro compound - C-nitro compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic salt - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
Not available