[2-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C21H18N4O7S MolecularWeight: 470.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O7S/c1-14-5-7-17(11-18(14)25(27)28)33(29,30)32-19-8-6-15(10-20(19)31-2)12-23-24-21(26)16-4-3-9-22-13-16/h3-13H,1-2H3,(H,24,26)/b23-12+