methyl 4-[(E)-[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[1-(4-nitrophenyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methyl]benzoate CAS Name: 4-[(E)-[1-(4-nitrophenyl)-5-oxo-3-phenyl-4-pyrazolylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[1-(4-nitrophenyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[5-keto-1-(4-nitrophenyl)-3-phenyl-2-pyrazolin-4-ylidene]methyl]benzoic acid methyl ester Formula: C24H17N3O5 MolecularWeight: 427.40888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H17N3O5/c1-32-24(29)18-9-7-16(8-10-18)15-21-22(17-5-3-2-4-6-17)25-26(23(21)28)19-11-13-20(14-12-19)27(30)31/h2-15H,1H3/b21-15+