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

Systemtic Name: ethyl 1-[6-[4-(2-methoxyethyl)phenoxy]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(2-methoxyethyl)phenoxy]-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(2-methoxyethyl)phenoxy]-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(2-methoxyethyl)phenoxy]-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(2-methoxyethyl)phenoxy]-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-3-30-22(26)17-10-13-24(14-11-17)21-19(25(27)28)8-9-20(23-21)31-18-6-4-16(5-7-18)12-15-29-2/h4-9,17H,3,10-15H2,1-2H3