ethyl 1-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(tert-butylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(tert-butylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O4/c1-5-25-15(22)11-6-8-20(9-7-11)14-12(21(23)24)13(17-10-18-14)19-16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,18,19)