ethyl 2-[9-nitro-10-octyl-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinolin-3-yl]ethanoate

Systemtic Name: ethyl 2-[9-nitro-10-octyl-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinolin-3-yl]ethanoate Openeye Name: ethyl 2-(9-nitro-10-octyl-2,4-dioxo-pyrimido[4,5-b]quinolin-3-yl)acetate CAS Name: 2-(9-nitro-10-octyl-2,4-dioxo-3-pyrimido[4,5-b]quinolinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(9-nitro-10-octyl-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetate Traditional Name: 2-(2,4-diketo-9-nitro-10-octyl-pyrimido[4,5-b]quinolin-3-yl)acetic acid ethyl ester Formula: C23H28N4O6 MolecularWeight: 456.49162

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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)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6/c1-3-5-6-7-8-9-13-25-20-16(11-10-12-18(20)27(31)32)14-17-21(25)24-23(30)26(22(17)29)15-19(28)33-4-2/h10-12,14H,3-9,13,15H2,1-2H3