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

Systemtic Name: methyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C17H14N4O2 MolecularWeight: 306.31866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2/c1-23-17(22)14(11-19)10-15-12-21(9-5-8-18)20-16(15)13-6-3-2-4-7-13/h2-4,6-7,10,12H,5,9H2,1H3/b14-10+