[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C17H22ClNO5/c1-9(2)19(10(3)4)16(20)11(5)24-17(21)12-6-13(18)15-14(7-12)22-8-23-15/h6-7,9-11H,8H2,1-5H3/t11-/m0/s1