ethyl 1-[5-nitro-6-[4-(4-oxidanylidenecyclohexyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[4-(4-oxidanylidenecyclohexyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-ketocyclohexyl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O6/c1-2-33-24(30)18-11-13-27(14-12-18)22-21(28(31)32)23(26-15-25-22)34-20-9-5-17(6-10-20)16-3-7-19(29)8-4-16/h5-6,9-10,15-16,18H,2-4,7-8,11-14H2,1H3