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

Systemtic Name: 2-[4-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]phenyl]acetic acid CAS Name: 2-[4-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]phenyl]acetic acid IUPAC Name: 2-[4-[6-amino-4-oxo-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]phenyl]acetic acid Traditional Name: 2-[4-[6-amino-4-keto-2-(trifluoromethyl)-6H-quinazolin-3-ium-3-yl]phenyl]acetic acid Formula: C17H13F3N3O3+ MolecularWeight: 364.29863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O3/c18-17(19,20)16-22-13-6-3-10(21)8-12(13)15(26)23(16)11-4-1-9(2-5-11)7-14(24)25/h1-6,8,10H,7,21H2/p+1