chloranylbenzene; 2-[3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: chloranylbenzene; 2-[3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: chlorobenzene; 2-(3,3,3-trifluoro-2-oxo-propyl)-1H-quinazolin-4-one CAS Name: chlorobenzene; 2-(3,3,3-trifluoro-2-oxopropyl)-1H-quinazolin-4-one IUPAC Name: chlorobenzene; 2-(3,3,3-trifluoro-2-oxopropyl)-1H-quinazolin-4-one Traditional Name: chlorobenzene; 2-(3,3,3-trifluoro-2-keto-propyl)-1H-quinazolin-4-one Formula: C17H12ClF3N2O2 MolecularWeight: 368.73759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)Cl.C1=CC=C2C(=C1)C(=O)N=C(N2)CC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)Cl.C1=CC=C2C(=C1)C(=O)N=C(N2)CC(=O)C(F)(F)F

InChI

InChI=1S/C11H7F3N2O2.C6H5Cl/c12-11(13,14)8(17)5-9-15-7-4-2-1-3-6(7)10(18)16-9;7-6-4-2-1-3-5-6/h1-4H,5H2,(H,15,16,18);1-5H