Summary

IMPPAT Phytochemical identifier: IMPHY007137

Phytochemical name: Methyl 2-(methylamino)benzoate

Synonymous chemical names:
dimethyl anthranilate, methyl n-methyl anthranilate, methyl n-methylanthranilate, methyl-n-methylanthranilate

External chemical identifiers:
CID:6826, ChEMBL:CHEMBL1409791, ChEBI:142267, ZINC:ZINC000000157414, FDASRS:5Z37T562P9, SureChEMBL:SCHEMBL165559, MolPort-000-003-404

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Chemical structure information

SMILES:
COC(=O)c1ccccc1NC

InChI:
InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3

InChIKey:
GVOWHGSUZUUUDR-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccccc6NC

Functional groups:
cC(=O)OC, cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Anthranillic acid derivatives

NP-Likeness score: -0.565

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Chemical structure download