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

Systemtic Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]acrylic acid Formula: C17H14N4O3 MolecularWeight: 322.31806

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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=C2C=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)