Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)OC1=CC(=NN1C1=CC=CC=C1Cl)C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=BFVJMINGXLTBFK-UHFFFAOYSA-N
Formula
C23H16ClN3O4
Mass
433.85
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 Benzoic acid esters Nitrobenzenes Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Phenylpyrazole - Benzoate ester - Nitrobenzene - Nitrotoluene - Benzoyl - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Pyrazole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic 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