2-[2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-phenyl]ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-phenyl]ethanenitrile Openeye Name: 2-[2-amino-3-(3,4-dimethoxybenzoyl)phenyl]acetonitrile CAS Name: 2-[2-amino-3-[(3,4-dimethoxyphenyl)-oxomethyl]phenyl]acetonitrile IUPAC Name: 2-[2-amino-3-(3,4-dimethoxybenzoyl)phenyl]acetonitrile Traditional Name: 2-(2-amino-3-veratroyl-phenyl)acetonitrile Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C(=CC=C2)CC#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C(=CC=C2)CC#N)N)OC

InChI

InChI=1S/C17H16N2O3/c1-21-14-7-6-12(10-15(14)22-2)17(20)13-5-3-4-11(8-9-18)16(13)19/h3-7,10H,8,19H2,1-2H3