ethyl 4-[1-butan-2-yl-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-butan-2-yl-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-(6-nitro-2,4-dioxo-1-sec-butyl-quinazolin-3-yl)piperidine-1-carboxylate CAS Name: 4-(1-butan-2-yl-6-nitro-2,4-dioxo-3-quinazolinyl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-butan-2-yl-6-nitro-2,4-dioxoquinazolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2,4-diketo-6-nitro-1-sec-butyl-quinazolin-3-yl)piperidine-1-carboxylic acid ethyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H26N4O6/c1-4-13(3)22-17-7-6-15(24(28)29)12-16(17)18(25)23(19(22)26)14-8-10-21(11-9-14)20(27)30-5-2/h6-7,12-14H,4-5,8-11H2,1-3H3