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

Systemtic Name: ethyl 1-[3-nitro-6-[4-(3-oxidanylidenebutyl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-nitro-6-[4-(3-oxobutyl)phenoxy]-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-nitro-6-[4-(3-oxobutyl)phenoxy]-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-nitro-6-[4-(3-oxobutyl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(3-ketobutyl)phenoxy]-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6/c1-3-31-23(28)18-12-14-25(15-13-18)22-20(26(29)30)10-11-21(24-22)32-19-8-6-17(7-9-19)5-4-16(2)27/h6-11,18H,3-5,12-15H2,1-2H3