Summary

IMPPAT Phytochemical identifier: IMPHY012645

Phytochemical name: Ethyl N-(o-anisyl)formimidate

Synonymous chemical names:
ethyl n-(o-anisyl) formimidate

External chemical identifiers:
CID:601627

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Chemical structure information

SMILES:
CCO/C=N/c1ccccc1OC

InChI:
InChI=1S/C10H13NO2/c1-3-13-8-11-9-6-4-5-7-10(9)12-2/h4-8H,3H2,1-2H3/b11-8+

InChIKey:
QOTWPVNGSQSOPI-DHZHZOJOSA-N

DeepSMILES:
CCO/C=N/cccccc6OC

Functional groups:
c/N=C/OC, cOC

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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: Aniline and substituted anilines

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.689

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Chemical structure download