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

Systemtic Name: 7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 7-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 7-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 7-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=C(C=C2)[N+](=O)[O-])C=C3C1=NC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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