[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(2-chloro-4-nitrophenyl)-2-furancarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H17ClN2O6 MolecularWeight: 380.77968

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O6/c1-3-8-19-16(21)10(2)25-17(22)15-7-6-14(26-15)12-5-4-11(20(23)24)9-13(12)18/h4-7,9-10H,3,8H2,1-2H3,(H,19,21)/t10-/m0/s1