[4-(3,5-dinitrophenoxy)phenyl]-[(2S)-2-ethylpiperidin-1-yl]methanone

Systemtic Name: [4-(3,5-dinitrophenoxy)phenyl]-[(2S)-2-ethylpiperidin-1-yl]methanone Openeye Name: [4-(3,5-dinitrophenoxy)phenyl]-[(2S)-2-ethyl-1-piperidyl]methanone CAS Name: [4-(3,5-dinitrophenoxy)phenyl]-[(2S)-2-ethyl-1-piperidinyl]methanone IUPAC Name: [4-(3,5-dinitrophenoxy)phenyl]-[(2S)-2-ethylpiperidin-1-yl]methanone Traditional Name: [4-(3,5-dinitrophenoxy)phenyl]-[(2S)-2-ethylpiperidino]methanone Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-2-15-5-3-4-10-21(15)20(24)14-6-8-18(9-7-14)29-19-12-16(22(25)26)11-17(13-19)23(27)28/h6-9,11-13,15H,2-5,10H2,1H3/t15-/m0/s1