2-[(2-chloranyl-4-nitro-phenyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(2-chloro-4-nitro-anilino)-3-sulfanyl-propanoic acid CAS Name: 2-(2-chloro-4-nitroanilino)-3-mercaptopropanoic acid IUPAC Name: 2-(2-chloro-4-nitroanilino)-3-sulfanylpropanoic acid Traditional Name: 2-(2-chloro-4-nitro-anilino)-3-mercapto-propionic acid Formula: C9H9ClN2O4S MolecularWeight: 276.69676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(CS)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(CS)C(=O)O

InChI

InChI=1S/C9H9ClN2O4S/c10-6-3-5(12(15)16)1-2-7(6)11-8(4-17)9(13)14/h1-3,8,11,17H,4H2,(H,13,14)