[4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazono)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-carbonylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C24H21N3O9S MolecularWeight: 527.50324

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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)C3COC4=CC=CC=C4O3)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)C3COC4=CC=CC=C4O3)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O9S/c1-15-7-9-17(12-18(15)27(29)30)37(31,32)36-21-10-8-16(11-22(21)33-2)13-25-26-24(28)23-14-34-19-5-3-4-6-20(19)35-23/h3-13,23H,14H2,1-2H3,(H,26,28)/b25-13+