ethyl 1-[4-nitro-3-[4-(3-oxidanylidenebutyl)phenoxy]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-nitro-3-[4-(3-oxidanylidenebutyl)phenoxy]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-nitro-3-[4-(3-oxobutyl)phenoxy]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-nitro-3-[4-(3-oxobutyl)phenoxy]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-nitro-3-[4-(3-oxobutyl)phenoxy]phenyl]piperidine-4-carboxylate Traditional Name: 1-[3-[4-(3-ketobutyl)phenoxy]-4-nitro-phenyl]isonipecotic acid ethyl ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6/c1-3-31-24(28)19-12-14-25(15-13-19)20-8-11-22(26(29)30)23(16-20)32-21-9-6-18(7-10-21)5-4-17(2)27/h6-11,16,19H,3-5,12-15H2,1-2H3