4-methylsulfanyl-2-[(2-nitrophenyl)methylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2-nitrophenyl)methylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(2-nitrophenyl)methylamino]butanoic acid CAS Name: 4-(methylthio)-2-[(2-nitrophenyl)methylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-nitrophenyl)methylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[(2-nitrobenzyl)amino]butyric acid Formula: C12H16N2O4S MolecularWeight: 284.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)NCC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-19-7-6-10(12(15)16)13-8-9-4-2-3-5-11(9)14(17)18/h2-5,10,13H,6-8H2,1H3,(H,15,16)