2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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