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

Systemtic Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]acrylate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-25-15-5-4-12(9-16(15)26-2)17-14(8-13(10-20)18(23)24)11-22(21-17)7-3-6-19/h4-5,8-9,11H,3,7H2,1-2H3,(H,23,24)/p-1/b13-8-