2,3,6-tris(fluoranyl)-5-[(4-nitrophenyl)carbamoylamino]benzoic acid

Systemtic Name: 2,3,6-tris(fluoranyl)-5-[(4-nitrophenyl)carbamoylamino]benzoic acid Openeye Name: 2,3,6-trifluoro-5-[(4-nitrophenyl)carbamoylamino]benzoic acid CAS Name: 2,3,6-trifluoro-5-[[(4-nitroanilino)-oxomethyl]amino]benzoic acid IUPAC Name: 2,3,6-trifluoro-5-[(4-nitrophenyl)carbamoylamino]benzoic acid Traditional Name: 2,3,6-trifluoro-5-[(4-nitrophenyl)carbamoylamino]benzoic acid Formula: C14H8F3N3O5 MolecularWeight: 355.22563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C(=C2F)C(=O)O)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C(=C2F)C(=O)O)F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H8F3N3O5/c15-8-5-9(12(17)10(11(8)16)13(21)22)19-14(23)18-6-1-3-7(4-2-6)20(24)25/h1-5H,(H,21,22)(H2,18,19,23)