Summary

IMPPAT Phytochemical identifier: IMPHY017171

Phytochemical name: Methyl N-acetylanthranilate

Synonymous chemical names:
methyl n-acetyl anthranilate

External chemical identifiers:
CID:17623, ChEBI:165203, ZINC:ZINC000000144268, FDASRS:738C69YF2O, SureChEMBL:SCHEMBL1640485, MolPort-000-558-609

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Chemical structure information

SMILES:
COC(=O)c1ccccc1NC(=O)C

InChI:
InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)

InChIKey:
UYQKZKVNYKOXHG-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccccc6NC=O)C

Functional groups:
cC(=O)OC, cNC(C)=O

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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: -0.964

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Chemical structure download