4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[(3-nitroanilino)-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3-nitrophenyl)carbamoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[(3-nitrophenyl)carbamoylamino]butyric acid Formula: C12H15N3O5S MolecularWeight: 313.3296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-21-6-5-10(11(16)17)14-12(18)13-8-3-2-4-9(7-8)15(19)20/h2-4,7,10H,5-6H2,1H3,(H,16,17)(H2,13,14,18)