Structure Information
Structure

Compound Identification

SMILES

CS\C(=N/C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)N(CC[N+](C)(C)CC1=CC=CC2=C1C=CC=C2OCC1=C(N2[C@@H]([C@@H](C(C)C)C2=O)[C@H]1C)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=OYNCJHUJSFBUSY-VKFCZKAOSA-N

Formula

C52H48N7O17S

Mass

1075.05

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