4-[3-[(3,4-dinitrophenoxy)methyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[3-[(3,4-dinitrophenoxy)methyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[3-[(3,4-dinitrophenoxy)methyl]-1-piperidyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[3-[(3,4-dinitrophenoxy)methyl]-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[3-[(3,4-dinitrophenoxy)methyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[3-[(3,4-dinitrophenoxy)methyl]piperidino]-1-(4-fluorophenyl)butan-1-one Formula: C22H24FN3O6 MolecularWeight: 445.440863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCC(=O)C2=CC=C(C=C2)F)COC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)CCCC(=O)C2=CC=C(C=C2)F)COC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24FN3O6/c23-18-7-5-17(6-8-18)22(27)4-2-12-24-11-1-3-16(14-24)15-32-19-9-10-20(25(28)29)21(13-19)26(30)31/h5-10,13,16H,1-4,11-12,14-15H2