[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O6/c1-3-10-21-18(23)12(2)27-19(24)13-4-7-15(8-5-13)28-17-9-6-14(20)11-16(17)22(25)26/h4-9,11-12H,3,10H2,1-2H3,(H,21,23)/t12-/m0/s1