[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N2O5/c17-9-16(5-1-2-6-16)18-14(19)8-21-15(20)11-3-4-12-13(7-11)23-10-22-12/h3-4,7H,1-2,5-6,8,10H2,(H,18,19)