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

Systemtic Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]acrylic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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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=C2C=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)