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

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C26H24N2O6 MolecularWeight: 460.47856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O6/c1-2-3-14-31-21-11-6-19(7-12-21)26(30)34-22-9-4-18(5-10-22)16-27-28-25(29)20-8-13-23-24(15-20)33-17-32-23/h4-13,15-16H,2-3,14,17H2,1H3,(H,28,29)/b27-16+