2-[2-(4-nitrophenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]butyric acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H14N2O6S/c1-7(15)11(12(17)18)13-10(16)6-21-9-4-2-8(3-5-9)14(19)20/h2-5,7,11,15H,6H2,1H3,(H,13,16)(H,17,18)