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

Systemtic Name: 4-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]benzoic acid Openeye Name: 4-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]benzoic acid CAS Name: 4-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]benzoic acid IUPAC Name: 4-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]benzoic acid Traditional Name: 4-[6-amino-4-keto-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]benzoic acid Formula: C16H11F3N3O3+ MolecularWeight: 350.27205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=[N+](C(=O)C2=CC1N)C3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC2=NC(=[N+](C(=O)C2=CC1N)C3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H10F3N3O3/c17-16(18,19)15-21-12-6-3-9(20)7-11(12)13(23)22(15)10-4-1-8(2-5-10)14(24)25/h1-7,9H,20H2/p+1