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

Systemtic Name: 3-[2-(4-nitrophenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(4-nitrophenyl)thio]acetyl]amino]butyric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-8(6-12(16)17)13-11(15)7-20-10-4-2-9(3-5-10)14(18)19/h2-5,8H,6-7H2,1H3,(H,13,15)(H,16,17)