(2R)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H13ClN2O5S MolecularWeight: 332.76002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O5S/c1-21-5-4-9(12(17)18)14-11(16)7-2-3-8(13)10(6-7)15(19)20/h2-3,6,9H,4-5H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1