2-nitro-4-oxidanyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid

Systemtic Name: 2-nitro-4-oxidanyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid Openeye Name: 4-hydroxy-2-nitro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid CAS Name: 4-hydroxy-2-nitro-5-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid IUPAC Name: 4-hydroxy-2-nitro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid Traditional Name: 4-hydroxy-2-nitro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid Formula: C15H10F3N3O6 MolecularWeight: 385.25161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=C(C=C(C(=C2)C(=O)O)[N+](=O)[O-])O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=C(C=C(C(=C2)C(=O)O)[N+](=O)[O-])O)C(F)(F)F

InChI

InChI=1S/C15H10F3N3O6/c16-15(17,18)7-2-1-3-8(4-7)19-14(25)20-10-5-9(13(23)24)11(21(26)27)6-12(10)22/h1-6,22H,(H,23,24)(H2,19,20,25)