[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO5/c1-10-6-13(11(2)18(10)3)14(19)8-21-17(20)12-4-5-15-16(7-12)23-9-22-15/h4-7H,8-9H2,1-3H3