[4-[(Z)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(Z)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C23H20N2O7S MolecularWeight: 468.4791

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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=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N\NC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H20N2O7S/c1-15-3-7-18(8-4-15)33(27,28)32-20-9-5-16(11-21(20)29-2)13-24-25-23(26)17-6-10-19-22(12-17)31-14-30-19/h3-13H,14H2,1-2H3,(H,25,26)/b24-13-