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

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

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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)CCC(=O)C

Isomeric SMILES

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

InChI

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