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

Systemtic Name: 9-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 9-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 9-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 9-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 9-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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