[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3,4-bis(chloranyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C13H15Cl2NO3 MolecularWeight: 304.1691

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2NO3/c1-3-6-16-12(17)8(2)19-13(18)9-4-5-10(14)11(15)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,17)/t8-/m0/s1