2-azanylbenzoic acid; 2-(trifluoromethyl)-3,1-benzoxazin-4-one

Systemtic Name: 2-azanylbenzoic acid; 2-(trifluoromethyl)-3,1-benzoxazin-4-one Openeye Name: 2-aminobenzoic acid; 2-(trifluoromethyl)-3,1-benzoxazin-4-one CAS Name: 2-aminobenzoic acid; 2-(trifluoromethyl)-3,1-benzoxazin-4-one IUPAC Name: 2-aminobenzoic acid; 2-(trifluoromethyl)-3,1-benzoxazin-4-one Traditional Name: anthranilic acid; 2-(trifluoromethyl)-3,1-benzoxazin-4-one Formula: C16H11F3N2O4 MolecularWeight: 352.26475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C(F)(F)F.C1=CC=C(C(=C1)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C(F)(F)F.C1=CC=C(C(=C1)C(=O)O)N

InChI

InChI=1S/C9H4F3NO2.C7H7NO2/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(14)15-8;8-6-4-2-1-3-5(6)7(9)10/h1-4H;1-4H,8H2,(H,9,10)