[2-methoxy-4-[(Z)-(1H-pyrrol-2-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(1H-pyrrol-2-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(1H-pyrrole-2-carbonylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-[[oxo(1H-pyrrol-2-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(1H-pyrrole-2-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-(1H-pyrrole-2-carbonylhydrazono)methyl]phenyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CN3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N\NC(=O)C3=CC=CN3)OC

InChI

InChI=1S/C20H19N3O5S/c1-14-5-8-16(9-6-14)29(25,26)28-18-10-7-15(12-19(18)27-2)13-22-23-20(24)17-4-3-11-21-17/h3-13,21H,1-2H3,(H,23,24)/b22-13-