2-[2-nitro-4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-nitro-4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-nitro-4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-nitro-4-[oxo-[2-(trifluoromethyl)anilino]methyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-nitro-4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-nitro-4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]thio]acetic acid Formula: C16H11F3N2O5S MolecularWeight: 400.32915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N2O5S/c17-16(18,19)10-3-1-2-4-11(10)20-15(24)9-5-6-13(27-8-14(22)23)12(7-9)21(25)26/h1-7H,8H2,(H,20,24)(H,22,23)