6-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione

Systemtic Name: 6-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 6-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 6-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 6-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 6-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C25H26N4O4 MolecularWeight: 446.49834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=C3C1=NC(=O)N(C3=O)C4=CC=CC=C4)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C2=C(C=C3C1=NC(=O)N(C3=O)C4=CC=CC=C4)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4/c1-2-3-4-5-6-10-16-27-21-14-11-15-22(29(32)33)19(21)17-20-23(27)26-25(31)28(24(20)30)18-12-8-7-9-13-18/h7-9,11-15,17H,2-6,10,16H2,1H3