2-[(3-methyl-5-nitro-pyridin-2-yl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-methyl-5-nitro-pyridin-2-yl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-methyl-5-nitro-2-pyridyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-methyl-5-nitropyridin-2-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-methyl-5-nitro-2-pyridyl)amino]-4-(methylthio)butyric acid Formula: C11H15N3O4S MolecularWeight: 285.3195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1NC(CCSC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CN=C1NC(CCSC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O4S/c1-7-5-8(14(17)18)6-12-10(7)13-9(11(15)16)3-4-19-2/h5-6,9H,3-4H2,1-2H3,(H,12,13)(H,15,16)