Compound Identification
SMILES
CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC1=CC=CC=C1[C@@H](C)CC)[N+]([O-])=O
InChIKey
InChIKey=JZAYVOFFSKQVNL-AWEZNQCLSA-N
Formula
C21H24N2O6
Mass
400.431
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
Nitrophenyl ethers Benzoic acid esters Phenylpropanes Anilides Phenoxy compounds Phenol ethers Nitroaromatic compounds N-arylamides Benzoyl derivatives Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - Benzoate ester - Nitrobenzene - Phenylpropane - Anilide - Nitroaromatic compound - Benzoyl - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic cation - 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