[2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 4-methoxybenzoate

Systemtic Name: [2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 4-methoxybenzoate Openeye Name: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-4-bromo-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-4-bromophenyl] ester IUPAC Name: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4-bromophenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-bromo-2-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C23H17BrN2O6 MolecularWeight: 497.29488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H17BrN2O6/c1-29-18-6-2-14(3-7-18)23(28)32-19-9-5-17(24)10-16(19)12-25-26-22(27)15-4-8-20-21(11-15)31-13-30-20/h2-12H,13H2,1H3,(H,26,27)/b25-12+