[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H22N4O4/c1-35-25-13-10-21(11-14-25)28-22(18-32(31-28)24-8-3-2-4-9-24)12-15-27(34)36-19-26(33)30-23-7-5-6-20(16-23)17-29/h2-16,18H,19H2,1H3,(H,30,33)