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

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H18N2O5/c1-15-3-2-4-18(11-15)23(27)30-19-8-5-16(6-9-19)13-24-25-22(26)17-7-10-20-21(12-17)29-14-28-20/h2-13H,14H2,1H3,(H,25,26)/b24-13+