3-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)-1,2-dihydroquinazolin-4-one CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)-1,2-dihydroquinazolin-4-one Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)-1,2-dihydroquinazolin-4-one Formula: C20H13ClF3N3O2 MolecularWeight: 419.78433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H13ClF3N3O2/c21-16-6-5-13(11-15(16)20(22,23)24)27-18(12-7-9-26(29)10-8-12)25-17-4-2-1-3-14(17)19(27)28/h1-11,18,25H