ethyl 1-[6-(4-imidazol-1-ylphenoxy)-3-nitro-pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-imidazol-1-ylphenoxy)-3-nitro-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-imidazol-1-ylphenoxy)-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(1-imidazolyl)phenoxy]-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-imidazol-1-ylphenoxy)-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-imidazol-1-ylphenoxy)-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c1-2-31-22(28)16-9-12-25(13-10-16)21-19(27(29)30)7-8-20(24-21)32-18-5-3-17(4-6-18)26-14-11-23-15-26/h3-8,11,14-16H,2,9-10,12-13H2,1H3