ethyl 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3,5-dimethylisoxazol-4-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3,5-dimethyl-4-isoxazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3,5-dimethylisoxazol-4-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])C3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])C3=C(ON=C3C)C

InChI

InChI=1S/C17H21N5O5/c1-4-26-17(23)12-5-7-21(8-6-12)16-15(22(24)25)14(18-9-19-16)13-10(2)20-27-11(13)3/h9,12H,4-8H2,1-3H3