2-azanyl-3-(4-nitrophenyl)carbonylsulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(4-nitrophenyl)carbonylsulfanyl-propanoic acid Openeye Name: 2-amino-3-(4-nitrobenzoyl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(4-nitrophenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 2-amino-3-(4-nitrobenzoyl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(4-nitrobenzoyl)thio]propionic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)SCC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5S/c11-8(9(13)14)5-18-10(15)6-1-3-7(4-2-6)12(16)17/h1-4,8H,5,11H2,(H,13,14)