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

Systemtic Name: 9-nitro-10-octadecyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 9-nitro-10-octadecyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 9-nitro-10-octadecyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 9-nitro-10-octadecyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 9-nitro-3-phenyl-10-stearyl-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C35H46N4O4 MolecularWeight: 586.76414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=C(C=CC=C2[N+](=O)[O-])C=C3C1=NC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=C(C=CC=C2[N+](=O)[O-])C=C3C1=NC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C35H46N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-37-32-28(22-21-25-31(32)39(42)43)27-30-33(37)36-35(41)38(34(30)40)29-23-18-17-19-24-29/h17-19,21-25,27H,2-16,20,26H2,1H3