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

Systemtic Name: ethyl 1-[3-nitro-6-(4-pyrrol-1-ylphenoxy)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-nitro-6-(4-pyrrol-1-ylphenoxy)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-nitro-6-[4-(1-pyrrolyl)phenoxy]-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-nitro-6-(4-pyrrol-1-ylphenoxy)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-nitro-6-(4-pyrrol-1-ylphenoxy)-2-pyridyl]isonipecotic acid ethyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O5/c1-2-31-23(28)17-11-15-26(16-12-17)22-20(27(29)30)9-10-21(24-22)32-19-7-5-18(6-8-19)25-13-3-4-14-25/h3-10,13-14,17H,2,11-12,15-16H2,1H3