Compound Identification
SMILES
COC1=C(NCCC(O)=O)C(=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=OPLVDYLQAHKSAO-UHFFFAOYSA-N
Formula
C11H12N2O7
Mass
284.224
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
Beta amino acids and derivatives P-methoxybenzoic acids and derivatives Nitrophenyl ethers Aminobenzoic acids Aminophenyl ethers Benzoic acids Methoxyanilines Anisoles Phenylalkylamines Benzoyl derivatives Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Secondary alkylarylamines Alkyl aryl ethers Amino acids Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - Beta amino acid or derivatives - P-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid - Nitrobenzene - Methoxyaniline - Phenoxy compound - Anisole - Nitroaromatic compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Amino acid - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organic salt - Organic zwitterion - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - 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