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

Systemtic Name: [2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[2-(tert-butylamino)-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-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C17H21ClN2O6 MolecularWeight: 384.81144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C17H21ClN2O6/c1-17(2,3)19-13(21)7-20(4)14(22)8-24-16(23)10-5-11(18)15-12(6-10)25-9-26-15/h5-6H,7-9H2,1-4H3,(H,19,21)