[3-(methylamino)-2-oxidanyl-propyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(methylamino)-2-oxidanyl-propyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-hydroxy-3-(methylamino)propyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-hydroxy-3-(methylamino)propyl] ester IUPAC Name: [2-hydroxy-3-(methylamino)propyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-hydroxy-3-(methylamino)propyl] ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(COC(=O)C1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

CNCC(COC(=O)C1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C12H15NO5/c1-13-5-9(14)6-16-12(15)8-2-3-10-11(4-8)18-7-17-10/h2-4,9,13-14H,5-7H2,1H3