4-[[2-[(4-nitrophenyl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(4-nitrophenyl)methylsulfanyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[(4-nitrophenyl)methylthio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(4-nitrophenyl)methylsulfanyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[(4-nitrobenzyl)thio]anilino]butyric acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-16(9-10-17(21)22)18-14-3-1-2-4-15(14)25-11-12-5-7-13(8-6-12)19(23)24/h1-8H,9-11H2,(H,18,20)(H,21,22)