3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one Openeye Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one CAS Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]-4-quinazolin-1-iumone IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one Traditional Name: 3-(4-methoxyphenyl)-2-methyl-1-(4-nitrobenzyl)quinazolin-1-ium-4-one Formula: C23H20N3O4+ MolecularWeight: 402.4226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N3O4/c1-16-24(15-17-7-9-19(10-8-17)26(28)29)22-6-4-3-5-21(22)23(27)25(16)18-11-13-20(30-2)14-12-18/h3-14H,15H2,1-2H3/q+1