Compound Identification
SMILES
COC(=O)C1=CC(=CC2=C1N(C)N(C2=O)C1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=CJHQIAITZWNXHR-UHFFFAOYSA-N
Formula
C16H12N4O7
Mass
372.293
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Phenylpyrazoles Indazoles Nitrobenzenes Nitroaromatic compounds Pyrazolones Vinylogous amides Heteroaromatic compounds Methyl esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Phenylpyrazole - Benzopyrazole - Indazole - Nitrobenzene - Nitroaromatic compound - Pyrazolinone - Azole - Heteroaromatic compound - Pyrazole - Methyl ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic oxide - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available