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

Systemtic Name: [2-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]phenyl] ester Formula: C24H19N3O6S MolecularWeight: 477.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=NN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H19N3O6S/c1-16-7-13-21(14-8-16)34(31,32)33-23-6-4-3-5-18(23)15-22-17(2)25-26(24(22)28)19-9-11-20(12-10-19)27(29)30/h3-15H,1-2H3/b22-15+