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

Systemtic Name: ethyl 1-[3-nitro-6-[4-(4-oxidanylidenecyclohexyl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-nitro-6-[4-(4-oxocyclohexyl)phenoxy]-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-nitro-6-[4-(4-oxocyclohexyl)phenoxy]-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-nitro-6-[4-(4-oxocyclohexyl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-ketocyclohexyl)phenoxy]-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)C4CCC(=O)CC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)C4CCC(=O)CC4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O6/c1-2-33-25(30)19-13-15-27(16-14-19)24-22(28(31)32)11-12-23(26-24)34-21-9-5-18(6-10-21)17-3-7-20(29)8-4-17/h5-6,9-12,17,19H,2-4,7-8,13-16H2,1H3