[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-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-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-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-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C28H21ClN4O4 MolecularWeight: 512.94374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21ClN4O4/c1-36-24-12-8-19(9-13-24)28-21(17-33(32-28)23-5-3-2-4-6-23)10-14-27(35)37-18-26(34)31-25-15-22(29)11-7-20(25)16-30/h2-15,17H,18H2,1H3,(H,31,34)