3-methyl-1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]quinazolin-3-ium-4-one bromide

Systemtic Name: 3-methyl-1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]quinazolin-3-ium-4-one bromide Openeye Name: 3-methyl-1-[2-(4-nitrophenyl)-2-oxo-ethyl]quinazolin-3-ium-4-one bromide CAS Name: 3-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]-4-quinazolin-3-iumone bromide IUPAC Name: 3-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinazolin-3-ium-4-one bromide Traditional Name: 1-[2-keto-2-(4-nitrophenyl)ethyl]-3-methyl-quinazolin-3-ium-4-one bromide Formula: C17H14BrN3O4 MolecularWeight: 404.21476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C2C1=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C2C1=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H14N3O4.BrH/c1-18-11-19(15-5-3-2-4-14(15)17(18)22)10-16(21)12-6-8-13(9-7-12)20(23)24;/h2-9,11H,10H2,1H3;1H/q+1;/p-1