Compound Identification
SMILES
CCOC1=C(OC)C=C(C(=O)OCC(=O)NC2=CC=CC(C)=C2C)C(=C1)[N+]([O-])=O
InChIKey
InChIKey=IFIAJTOLTNPRSW-UHFFFAOYSA-N
Formula
C20H22N2O7
Mass
402.403
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
M-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Anilides Anisoles Nitroaromatic compounds N-arylamides Methoxybenzenes Benzoyl derivatives o-Xylenes Phenoxy compounds Alkyl aryl ethers Carboxylic acid esters Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Methoxyaniline - N-arylamide - Xylene - Benzoyl - O-xylene - Methoxybenzene - Anisole - Nitroaromatic compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - 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