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

Systemtic Name: [2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 2-methylbenzoate Openeye Name: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-4-bromo-phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C23H17BrN2O5 MolecularWeight: 481.29548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H17BrN2O5/c1-14-4-2-3-5-18(14)23(28)31-19-9-7-17(24)10-16(19)12-25-26-22(27)15-6-8-20-21(11-15)30-13-29-20/h2-12H,13H2,1H3,(H,26,27)/b25-12+