ethyl 1-[2-nitro-5-[4-(3-oxidanylidenebutyl)phenoxy]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-nitro-5-[4-(3-oxidanylidenebutyl)phenoxy]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-nitro-5-[4-(3-oxobutyl)phenoxy]phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-5-[4-(3-oxobutyl)phenoxy]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-nitro-5-[4-(3-oxobutyl)phenoxy]phenyl]piperidine-4-carboxylate Traditional Name: 1-[5-[4-(3-ketobutyl)phenoxy]-2-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=C(C=CC(=C2)OC3=CC=C(C=C3)CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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