[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(3-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C26H18ClN3O5 MolecularWeight: 487.89122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Cl)C=CC(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Cl)C=CC(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H18ClN3O5/c27-21-6-4-5-19(15-21)26-20(16-29(28-26)22-7-2-1-3-8-22)11-14-25(32)35-17-24(31)18-9-12-23(13-10-18)30(33)34/h1-16H,17H2