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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=CC(=C2O)NC(=O)N)C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=CC(=C2O)NC(=O)N)C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H10F3N3O6/c16-15(17,18)8-4-2-1-3-6(8)10-11(21(26)27)7(13(23)24)5-9(12(10)22)20-14(19)25/h1-5,22H,(H,23,24)(H3,19,20,25)