Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H]1[C@H]2[C@@H](C)C(COC3=CC=CC4=C3C=CC=C4N(C)C)=C(N2C1=O)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=QSWDMXMXLOJZKD-IYYJOCMQSA-N

Formula

C31H31N3O7

Mass

557.603

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrobenzoate - Carbapenem - Alpha-amino acid or derivatives - Naphthalene - Benzyloxycarbonyl - Nitrobenzene - Pyrroline carboxylic acid or derivatives - Nitroaromatic compound - Pyrroline carboxylic acid - Dialkylarylamine - Benzoyl - Phenol ether - Alkyl aryl ether - Azepine - Tertiary carboxylic acid amide - Pyrroline - Carboxylic acid anhydride - Beta-lactam - Tertiary amine - Carboxamide group - Lactam - Organic nitro compound - C-nitro compound - Azetidine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic salt - Organic cation - 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

Previous Back Next