(2S)-2-[(2-aminophenyl)amino]-2-(3,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-[(2-aminophenyl)amino]-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(2-aminoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(2-aminoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(2-aminoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(2-aminoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC2=CC=CC=C2N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C#N)NC2=CC=CC=C2N)OC

InChI

InChI=1S/C16H17N3O2/c1-20-15-8-7-11(9-16(15)21-2)14(10-17)19-13-6-4-3-5-12(13)18/h3-9,14,19H,18H2,1-2H3/t14-/m1/s1