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

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-methoxy-phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C27H26N2O7/c1-3-4-13-33-21-9-6-19(7-10-21)27(31)36-23-11-5-18(14-24(23)32-2)16-28-29-26(30)20-8-12-22-25(15-20)35-17-34-22/h5-12,14-16H,3-4,13,17H2,1-2H3,(H,29,30)/b28-16+