4-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-nitrophenyl)sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(4-nitrophenyl)thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-nitrophenyl)sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[(4-nitrophenyl)thio]anilino]butyric acid Formula: C16H14N2O5S MolecularWeight: 346.35776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c19-15(9-10-16(20)21)17-11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)18(22)23/h1-8H,9-10H2,(H,17,19)(H,20,21)