[1-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]naphthalen-2-yl] 3-methylbenzoate

Systemtic Name: [1-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]naphthalen-2-yl] 3-methylbenzoate Openeye Name: [1-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-naphthyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [1-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [1-[(E)-(piperonyloylhydrazono)methyl]-2-naphthyl] ester Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H20N2O5/c1-17-5-4-7-20(13-17)27(31)34-23-11-9-18-6-2-3-8-21(18)22(23)15-28-29-26(30)19-10-12-24-25(14-19)33-16-32-24/h2-15H,16H2,1H3,(H,29,30)/b28-15+