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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO5/c1-3-4-16-13(17)8(2)21-14(18)9-5-10(15)12-11(6-9)19-7-20-12/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)/t8-/m0/s1