4-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-2-hydroxy-benzoic acid CAS Name: 4-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-2-hydroxybenzoic acid IUPAC Name: 4-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-2-hydroxybenzoic acid Traditional Name: 4-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-2-hydroxy-benzoic acid Formula: C16H11F3N3O4+ MolecularWeight: 366.27145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=[N+](C(=O)C2C=C1N)C3=CC(=C(C=C3)C(=O)O)O)C(F)(F)F

Isomeric SMILES

C1=CC2=NC(=[N+](C(=O)C2C=C1N)C3=CC(=C(C=C3)C(=O)O)O)C(F)(F)F

InChI

InChI=1S/C16H10F3N3O4/c17-16(18,19)15-21-11-4-1-7(20)5-10(11)13(24)22(15)8-2-3-9(14(25)26)12(23)6-8/h1-6,10H,20H2,(H-,23,25,26)/p+1