2-cyano-3-[(phenylmethyl)amino]but-2-enamide

Systemtic Name: 2-cyano-3-[(phenylmethyl)amino]but-2-enamide Openeye Name: 3-(benzylamino)-2-cyano-but-2-enamide CAS Name: 2-cyano-3-[(phenylmethyl)amino]-2-butenamide IUPAC Name: 3-(benzylamino)-2-cyanobut-2-enamide Traditional Name: 3-(benzylamino)-2-cyano-but-2-enamide Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)N)NCC1=CC=CC=C1

Isomeric SMILES

CC(=C(C#N)C(=O)N)NCC1=CC=CC=C1

InChI

InChI=1S/C12H13N3O/c1-9(11(7-13)12(14)16)15-8-10-5-3-2-4-6-10/h2-6,15H,8H2,1H3,(H2,14,16)