Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H]1[C@H]2[C@@H](C)C(COC3=CC=CC4=C3C=CC=C4CC[N+](C)(C)CCN(C)C)=C(N2C1=O)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=IXKSIKHMTUNFPF-OHASNXHUSA-N

Formula

C37H45N4O7

Mass

657.787

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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 - Phenethylamine - Nitrobenzene - Nitroaromatic compound - Phenol ether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Benzoyl - Alkyl aryl ether - Azepine - Aralkylamine - Quaternary ammonium salt - Pyrroline - Carboxylic acid anhydride - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Beta-lactam - Amino acid or derivatives - Carboxamide group - Lactam - Organic nitro compound - C-nitro compound - Azetidine - Tertiary amine - Tertiary aliphatic amine - Ether - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - 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

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