2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]pentanoic acid

Systemtic Name: 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]pentanoic acid Openeye Name: 2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]pentanoic acid CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]pentanoic acid Traditional Name: 2-[[4-(methylthio)-3-nitro-benzoyl]amino]valeric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-3-4-9(13(17)18)14-12(16)8-5-6-11(21-2)10(7-8)15(19)20/h5-7,9H,3-4H2,1-2H3,(H,14,16)(H,17,18)