[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (Z)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-prop-2-enoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (Z)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-prop-2-enoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenyl-prop-2-enoate CAS Name: (Z)-2-(5-methyl-1-tetrazolyl)-3-phenyl-2-propenoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate Traditional Name: (Z)-2-(5-methyltetrazol-1-yl)-3-phenyl-acrylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H16N6O3 MolecularWeight: 352.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=NN1C(=CC2=CC=CC=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H16N6O3/c1-11(19)14(9-18)16(24)10-26-17(25)15(23-12(2)20-21-22-23)8-13-6-4-3-5-7-13/h3-8,14,19H,10H2,1-2H3/b15-8-,19-11?/t14-/m1/s1