Compound Identification
SMILES
COC1=C(NC(=O)COC(=O)C2=CC=C(C=C2)N2CCCC2=O)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=ATLWONLMUWLQOB-UHFFFAOYSA-N
Formula
C20H19N3O7
Mass
413.386
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Nitrophenyl ethers Phenylpyrrolidines Benzoic acid esters Anilides Methoxyanilines Anisoles Benzoyl derivatives Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Pyrrolidine-2-ones Pyrroles Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Carboxylic acid esters Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Nitrophenyl ether - Benzoate ester - Anilide - Methoxyaniline - Nitrobenzene - N-arylamide - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Benzoyl - Alkyl aryl ether - 2-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available