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

Systemtic Name: methyl 1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)isonipecotic acid methyl ester Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C15H21N5O4/c1-24-15(21)11-4-8-19(9-5-11)14-12(20(22)23)13(16-10-17-14)18-6-2-3-7-18/h10-11H,2-9H2,1H3