6-azanyl-3-(3-hydroxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-(3-hydroxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-(3-hydroxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-(3-hydroxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-(3-hydroxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-(3-hydroxyphenyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C15H11F3N3O2+ MolecularWeight: 322.26195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)O)[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F

InChI

InChI=1S/C15H10F3N3O2/c16-15(17,18)14-20-12-5-4-8(19)6-11(12)13(23)21(14)9-2-1-3-10(22)7-9/h1-7,11H,19H2/p+1