Compound Identification
SMILES
COC1=CC(=C\C(=C\NNC(=O)C2=CC(=C(N3CCCC3)C(=C2)[N+]([O-])=O)[N+]([O-])=O)C1=O)[N+]([O-])=O
InChIKey
InChIKey=CAZXEYALSUJJNW-BENRWUELSA-N
Formula
C19H18N6O9
Mass
474.386
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 Aminobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds O-quinomethanes Vinylogous amides Pyrroles Amino acids and derivatives Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitroaniline - 1-phenylpyrrolidine - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - O-quinomethane - Dialkylarylamine - Quinomethane - Tertiary aliphatic/aromatic amine - Pyrrole - Pyrrolidine - Vinylogous amide - Carboxylic acid hydrazide - Ketone - Cyclic ketone - Tertiary amine - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - 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