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

Systemtic Name: 10-dodecyl-9-nitro-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 10-dodecyl-9-nitro-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 10-dodecyl-9-nitro-3-phenylpyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 10-dodecyl-9-nitro-3-phenylpyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 10-lauryl-9-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/c1-2-3-4-5-6-7-8-9-10-14-20-31-26-22(16-15-19-25(26)33(36)37)21-24-27(31)30-29(35)32(28(24)34)23-17-12-11-13-18-23/h11-13,15-19,21H,2-10,14,20H2,1H3