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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H14N2O5S/c15-11(13-7-1-2-12(16)17)8-20-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)