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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5/c1-3-15-12(16)7(2)20-13(17)8-4-9(14)11-10(5-8)18-6-19-11/h4-5,7H,3,6H2,1-2H3,(H,15,16)/t7-/m0/s1