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

Systemtic Name: methyl 1-(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(5-nitro-4-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate CAS Name: 1-(5-nitro-4-oxo-1H-pyrimidin-6-yl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-nitro-4-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-5-nitro-1H-pyrimidin-6-yl)isonipecotic acid methyl ester Formula: C11H14N4O5 MolecularWeight: 282.25266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O5/c1-20-11(17)7-2-4-14(5-3-7)9-8(15(18)19)10(16)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,16)