2-[(2-methyl-6-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-methyl-6-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-methyl-6-nitro-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2-methyl-6-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-methyl-6-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-methyl-6-nitro-benzoyl)amino]-4-(methylthio)butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-8-4-3-5-10(15(19)20)11(8)12(16)14-9(13(17)18)6-7-21-2/h3-5,9H,6-7H2,1-2H3,(H,14,16)(H,17,18)