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

Systemtic Name: 3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]acrylic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC#N)OC

InChI

InChI=1S/C17H17N3O4/c1-23-14-6-4-12(10-15(14)24-2)17-13(5-7-16(21)22)11-20(19-17)9-3-8-18/h4-7,10-11H,3,9H2,1-2H3,(H,21,22)