10-dodecyl-8-nitro-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione

Systemtic Name: 10-dodecyl-8-nitro-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 10-dodecyl-8-nitro-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 10-dodecyl-8-nitro-3-phenylpyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 10-dodecyl-8-nitro-3-phenylpyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 10-lauryl-8-nitro-3-phenyl-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C=C3C1=NC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C=C3C1=NC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O4/c1-2-3-4-5-6-7-8-9-10-14-19-31-26-21-24(33(36)37)18-17-22(26)20-25-27(31)30-29(35)32(28(25)34)23-15-12-11-13-16-23/h11-13,15-18,20-21H,2-10,14,19H2,1H3