3-(2-chloranyl-5-nitro-phenyl)-3-[(4-methoxy-2-methylsulfanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-3-[(4-methoxy-2-methylsulfanyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(2-chloro-5-nitro-phenyl)-3-[(4-methoxy-2-methylsulfanyl-benzoyl)amino]propanoic acid CAS Name: 3-(2-chloro-5-nitrophenyl)-3-[[[4-methoxy-2-(methylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-chloro-5-nitrophenyl)-3-[(4-methoxy-2-methylsulfanylbenzoyl)amino]propanoic acid Traditional Name: 3-(2-chloro-5-nitro-phenyl)-3-[[4-methoxy-2-(methylthio)benzoyl]amino]propionic acid Formula: C18H17ClN2O6S MolecularWeight: 424.85538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC

InChI

InChI=1S/C18H17ClN2O6S/c1-27-11-4-5-12(16(8-11)28-2)18(24)20-15(9-17(22)23)13-7-10(21(25)26)3-6-14(13)19/h3-8,15H,9H2,1-2H3,(H,20,24)(H,22,23)