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

Systemtic Name: ethyl 1-[3-nitro-4-[4-(phenylcarbonyl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-benzoylphenoxy)-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[4-(4-benzoylphenoxy)-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-benzoylphenoxy)-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-benzoylphenoxy)-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O6/c1-2-34-26(31)20-13-16-28(17-14-20)25-23(29(32)33)22(12-15-27-25)35-21-10-8-19(9-11-21)24(30)18-6-4-3-5-7-18/h3-12,15,20H,2,13-14,16-17H2,1H3