Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)N1C(CC1=O)C(=O)CC#N

InChIKey

InChIKey=WXFUJMWBNWJQER-UHFFFAOYSA-N

Formula

C13H12N2O3

Mass

244.25

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Not available

Direct Parent

Monobactams

Alternative Parents

Phenylazetidines Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Ketones Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Monobactam - 1-phenylazetidine - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Ketone - Carboxylic acid derivative - Ether - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Cyanide - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.

External Descriptors

Not available

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