[4-[(E)-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(1-methyl-4-nitro-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[(1-methyl-4-nitro-3-pyrazolyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(1-methyl-4-nitropyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[(1-methyl-4-nitro-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] ester Formula: C19H17N5O6S MolecularWeight: 443.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O6S/c1-13-3-9-16(10-4-13)31(28,29)30-15-7-5-14(6-8-15)11-20-21-19(25)18-17(24(26)27)12-23(2)22-18/h3-12H,1-2H3,(H,21,25)/b20-11+