Compound Identification
SMILES
CN1N=CC2=C1C(NC1=C(C=CC=C1[N+]([O-])=O)C(O)=O)=CC=C2
InChIKey
InChIKey=BIHNWRQYYYZQID-UHFFFAOYSA-N
Formula
C15H12N4O4
Mass
312.285
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Aminobenzoic acids Benzoic acids Indazoles Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Primary aromatic amines Pyrazoles Heteroaromatic compounds Vinylogous amides Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Secondary amines Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Benzopyrazole - Indazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Primary aromatic amine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Amino acid - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Carboxylic acid - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Amine - Organic nitrogen compound - Organic zwitterion - Organic salt - 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