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

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

Click to see the large picture

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