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

Systemtic Name: [2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 4-propoxybenzoate Openeye Name: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-4-bromo-phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C25H21BrN2O6 MolecularWeight: 525.34804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCOC1=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/C25H21BrN2O6/c1-2-11-31-20-7-3-16(4-8-20)25(30)34-21-10-6-19(26)12-18(21)14-27-28-24(29)17-5-9-22-23(13-17)33-15-32-22/h3-10,12-14H,2,11,15H2,1H3,(H,28,29)/b27-14+