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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O5/c18-10-17(6-2-1-3-7-17)19-15(20)9-22-16(21)12-4-5-13-14(8-12)24-11-23-13/h4-5,8H,1-3,6-7,9,11H2,(H,19,20)