Summary

IMPPAT Phytochemical identifier: IMPHY015837

Phytochemical name: Methyl N-formylanthranilate

Synonymous chemical names:
methyl n-formylanthranilate

External chemical identifiers:
CID:162458, ChEBI:165204, ZINC:ZINC000005997565, FDASRS:XHM71YC88Y, SureChEMBL:SCHEMBL2442267, MolPort-004-961-291

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Chemical structure information

SMILES:
O=CNc1ccccc1C(=O)OC

InChI:
InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)

InChIKey:
HRNPZFOYXWWMFL-UHFFFAOYSA-N

DeepSMILES:
O=CNcccccc6C=O)OC

Functional groups:
cC(=O)OC, cNC=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: -0.502

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Chemical structure download