4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[6-(trifluoromethyl)-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid Formula: C16H10F3N3O2 MolecularWeight: 333.26471

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F

InChI

InChI=1S/C16H10F3N3O2/c17-16(18,19)10-3-6-12-13(7-10)20-8-14(22-12)21-11-4-1-9(2-5-11)15(23)24/h1-8H,(H,21,22)(H,23,24)