[(3R,4S)-1-ethyl-4-(4-nitrophenyl)-4-oxidanyl-piperidin-3-yl]-(4-nitrophenyl)methanone

Systemtic Name: [(3R,4S)-1-ethyl-4-(4-nitrophenyl)-4-oxidanyl-piperidin-3-yl]-(4-nitrophenyl)methanone Openeye Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-nitrophenyl)-3-piperidyl]-(4-nitrophenyl)methanone CAS Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-nitrophenyl)-3-piperidinyl]-(4-nitrophenyl)methanone IUPAC Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-nitrophenyl)piperidin-3-yl]-(4-nitrophenyl)methanone Traditional Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-nitrophenyl)-3-piperidyl]-(4-nitrophenyl)methanone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCN1CC[C@]([C@@H](C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H21N3O6/c1-2-21-12-11-20(25,15-5-9-17(10-6-15)23(28)29)18(13-21)19(24)14-3-7-16(8-4-14)22(26)27/h3-10,18,25H,2,11-13H2,1H3/t18-,20+/m0/s1