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

Systemtic Name: 3-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-chloranyl-benzoic acid Openeye Name: 3-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-chloro-benzoic acid CAS Name: 3-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-chlorobenzoic acid IUPAC Name: 3-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-chlorobenzoic acid Traditional Name: 3-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-chloro-benzoic acid Formula: C16H10ClF3N3O3+ MolecularWeight: 384.71711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF3N3O3/c17-10-3-1-7(14(25)26)5-12(10)23-13(24)9-6-8(21)2-4-11(9)22-15(23)16(18,19)20/h1-6,9H,21H2/p+1