ethyl 1-[6-(3-aminocarbonylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(3-aminocarbonylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-carbamoylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-carbamoylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-carbamoylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-carbamoylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6/c1-2-29-19(26)12-6-8-23(9-7-12)17-15(24(27)28)18(22-11-21-17)30-14-5-3-4-13(10-14)16(20)25/h3-5,10-12H,2,6-9H2,1H3,(H2,20,25)