3-[4-(3,5-dinitrophenoxy)phenyl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(1-piperidyl)propan-1-one CAS Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-piperidino-propan-1-one Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c24-20(21-10-2-1-3-11-21)9-6-15-4-7-18(8-5-15)29-19-13-16(22(25)26)12-17(14-19)23(27)28/h4-5,7-8,12-14H,1-3,6,9-11H2