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

Systemtic Name: ethyl 1-[6-[4-(4-cyanophenyl)phenoxy]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(4-cyanophenyl)phenoxy]-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(4-cyanophenyl)phenoxy]-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(4-cyanophenyl)phenoxy]-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-cyanophenyl)phenoxy]-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O5/c1-2-34-26(31)21-13-15-29(16-14-21)25-23(30(32)33)11-12-24(28-25)35-22-9-7-20(8-10-22)19-5-3-18(17-27)4-6-19/h3-12,21H,2,13-16H2,1H3