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

Systemtic Name: 4-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(4-methylsulfanyl-3-nitro-benzoyl)amino]butanoic acid CAS Name: 4-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(4-methylsulfanyl-3-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[[4-(methylthio)-3-nitro-benzoyl]amino]butyric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-20-10-5-4-8(7-9(10)14(18)19)12(17)13-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,15,16)