ethyl 1-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(1-imidazolyl)phenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-imidazol-1-ylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5/c1-2-31-21(28)15-7-10-25(11-8-15)19-18(27(29)30)20(24-13-23-19)32-17-5-3-16(4-6-17)26-12-9-22-14-26/h3-6,9,12-15H,2,7-8,10-11H2,1H3