(Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]acrylate Formula: C17H13N4O3- MolecularWeight: 321.31012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)[O-])CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)[O-])CCC#N

InChI

InChI=1S/C17H14N4O3/c1-24-15-5-3-12(4-6-15)16-14(9-13(10-19)17(22)23)11-21(20-16)8-2-7-18/h3-6,9,11H,2,8H2,1H3,(H,22,23)/p-1/b13-9-