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

Systemtic Name: [2-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] benzenesulfonate Openeye Name: [2-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]phenyl] ester Formula: C23H17N3O6S MolecularWeight: 463.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6S/c1-16-21(23(27)25(24-16)18-11-13-19(14-12-18)26(28)29)15-17-7-5-6-10-22(17)32-33(30,31)20-8-3-2-4-9-20/h2-15H,1H3/b21-15+