3-butyl-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione

Systemtic Name: 3-butyl-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione Openeye Name: 3-butyl-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione CAS Name: 3-butyl-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione IUPAC Name: 3-butyl-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione Traditional Name: 3-butyl-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-quinone Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3N2C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3N2C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4/c1-3-4-12-25-20(14-8-7-9-15(13-14)26(29)30)23-21-18(22(25)28)19(27)16-10-5-6-11-17(16)24(21)2/h5-11,13H,3-4,12H2,1-2H3