[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C25H19N3O6 MolecularWeight: 457.43486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O6/c1-33-21-13-9-18(10-14-21)24-22(15-27(26-24)19-5-3-2-4-6-19)25(30)34-16-23(29)17-7-11-20(12-8-17)28(31)32/h2-15H,16H2,1H3