Compound Identification
SMILES
CCNC1=C(C=C(C(O)=O)C(Cl)=C1)[N+]([O-])=O
InChIKey
InChIKey=HNVYHGSWSYYPPC-UHFFFAOYSA-N
Formula
C9H9ClN2O4
Mass
244.63
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
Halobenzoic acids Aminobenzoic acids 2-halobenzoic acids Nitrobenzenes Benzoic acids Phenylalkylamines Nitroaromatic compounds Benzoyl derivatives Aniline and substituted anilines 1-carboxy-2-haloaromatic compounds Secondary alkylarylamines Chlorobenzenes Aryl chlorides Vinylogous halides Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Aminobenzoic acid - Nitrobenzene - Benzoic acid - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Benzoyl - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Amino acid - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic 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