[2-methoxy-5-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-5-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O7S/c1-15-6-9-19(10-7-15)33(29,30)32-21-12-16(8-11-20(21)31-2)14-23-24-22(26)17-4-3-5-18(13-17)25(27)28/h3-14H,1-2H3,(H,24,26)/b23-14+