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

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H22N2O6/c1-2-13-30-20-10-5-18(6-11-20)25(29)33-21-8-3-17(4-9-21)15-26-27-24(28)19-7-12-22-23(14-19)32-16-31-22/h3-12,14-15H,2,13,16H2,1H3,(H,27,28)/b26-15+