[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO5/c1-12-2-4-13(5-3-12)9-19-17(20)10-22-18(21)14-6-7-15-16(8-14)24-11-23-15/h2-8H,9-11H2,1H3,(H,19,20)