[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C16H17ClN2O6 MolecularWeight: 368.76898

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H17ClN2O6/c1-19(6-13(20)18-10-2-3-10)14(21)7-23-16(22)9-4-11(17)15-12(5-9)24-8-25-15/h4-5,10H,2-3,6-8H2,1H3,(H,18,20)