2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(4-nitroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(4-nitroanilino)ethyl]thio]propionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c1-7(11(15)16)19-6-10(14)12-8-2-4-9(5-3-8)13(17)18/h2-5,7H,6H2,1H3,(H,12,14)(H,15,16)