ethyl 1-(6-dibenzofuran-4-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(6-dibenzofuran-4-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(6-dibenzofuran-4-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-[6-(4-dibenzofuranyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-dibenzofuran-4-yl-5-nitropyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-dibenzofuran-4-yl-5-nitro-pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])C3=CC=CC4=C3OC5=CC=CC=C45

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])C3=CC=CC4=C3OC5=CC=CC=C45

InChI

InChI=1S/C24H22N4O5/c1-2-32-24(29)15-10-12-27(13-11-15)23-21(28(30)31)20(25-14-26-23)18-8-5-7-17-16-6-3-4-9-19(16)33-22(17)18/h3-9,14-15H,2,10-13H2,1H3