methyl (Z)-3-(2-azanylethylamino)-2-cyano-3-phenylazanyl-prop-2-enoate

Systemtic Name: methyl (Z)-3-(2-azanylethylamino)-2-cyano-3-phenylazanyl-prop-2-enoate Openeye Name: methyl (Z)-3-(2-aminoethylamino)-3-anilino-2-cyano-prop-2-enoate CAS Name: (Z)-3-(2-aminoethylamino)-3-anilino-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(2-aminoethylamino)-3-anilino-2-cyanoprop-2-enoate Traditional Name: (Z)-3-(2-aminoethylamino)-3-anilino-2-cyano-acrylic acid methyl ester Formula: C13H16N4O2 MolecularWeight: 260.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NCCN)NC1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)/C(=C(/NCCN)\NC1=CC=CC=C1)/C#N

InChI

InChI=1S/C13H16N4O2/c1-19-13(18)11(9-15)12(16-8-7-14)17-10-5-3-2-4-6-10/h2-6,16-17H,7-8,14H2,1H3/b12-11-