Compound Identification
SMILES
COC1=C(O)C=CC(C=CC2C3=CCC4C(C3CC3(Cl)C(=O)N(CBr)C(=O)C23Cl)C(=O)N(C4=O)C2=CC(=C(N(C)C)C(=C2)[N+]([O-])=O)[N+]([O-])=O)=C1
InChIKey
InChIKey=CDEMZSORDZPKPH-UHFFFAOYSA-N
Formula
C32H28BrCl2N5O10
Mass
793.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
-
Subclass
Aniline and substituted anilines
-
Class
Benzene and substituted derivatives
-
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 Isoindolones Methoxyphenols Nitrobenzenes Styrenes Anisoles Phenoxy compounds Dialkylarylamines Methoxybenzenes Nitroaromatic compounds Nitrogen mustard compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Amino acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives Organochlorides Carbonyl compounds Alkyl chlorides Alkyl bromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitroaniline - 1-phenylpyrrolidine - Isoindolone - Methoxyphenol - Isoindoline - Isoindole or derivatives - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Nitrogen mustard - Phenol ether - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Pyrrole - Lactam - C-nitro compound - Tertiary amine - Amino acid or derivatives - Organic nitro compound - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Organic zwitterion - Alkyl chloride - Organic oxygen compound - Alkyl bromide - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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