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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19NO5/c18-15(17-7-3-1-2-4-8-17)10-20-16(19)12-5-6-13-14(9-12)22-11-21-13/h5-6,9H,1-4,7-8,10-11H2