Compound Identification
SMILES
CC1=NN(C(=O)\C1=C/NC1=CC(=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=SMHDHVQBAHSFAD-ZROIWOOFSA-N
Formula
C17H12ClN5O5
Mass
401.76
Taxonomic Classification
Taxonomy Tree
-
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
Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Pyrazolones Aryl chlorides Vinylogous amides Allylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Enamines Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazolinone - Pyrazoline - Vinylogous amide - Organic nitro compound - C-nitro compound - Allylamine - Azacycle - Carboxylic acid derivative - Enamine - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Amine - Organic oxide - Aromatic heteromonocyclic 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