ethyl 1-(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5-nitro-4-oxo-1H-pyrimidin-6-yl)piperidine-3-carboxylate CAS Name: 1-(5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-nitro-4-oxo-1H-pyrimidin-6-yl)piperidine-3-carboxylate Traditional Name: 1-(4-keto-5-nitro-1H-pyrimidin-6-yl)nipecotic acid ethyl ester Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c1-2-21-12(18)8-4-3-5-15(6-8)10-9(16(19)20)11(17)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,17)