[2-(methylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C19H17N5O3 MolecularWeight: 363.36998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CCC#N)C#N

Isomeric SMILES

CNC(=O)COC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CCC#N)/C#N

InChI

InChI=1S/C19H17N5O3/c1-22-17(25)13-27-19(26)15(11-21)10-16-12-24(9-5-8-20)23-18(16)14-6-3-2-4-7-14/h2-4,6-7,10,12H,5,9,13H2,1H3,(H,22,25)/b15-10+