(5E)-3-bromanyl-5-[1-nitroso-2-[4-(phenylmethyl)piperidin-1-yl]ethylidene]-2H-1,2-oxazole

Systemtic Name: (5E)-3-bromanyl-5-[1-nitroso-2-[4-(phenylmethyl)piperidin-1-yl]ethylidene]-2H-1,2-oxazole Openeye Name: (5E)-5-[2-(4-benzyl-1-piperidyl)-1-nitroso-ethylidene]-3-bromo-2H-isoxazole CAS Name: (5E)-3-bromo-5-[1-nitroso-2-[4-(phenylmethyl)-1-piperidinyl]ethylidene]-2H-isoxazole IUPAC Name: (5E)-5-[2-(4-benzylpiperidin-1-yl)-1-nitrosoethylidene]-3-bromo-2H-1,2-oxazole Traditional Name: (5E)-5-[2-(4-benzylpiperidino)-1-nitroso-ethylidene]-3-bromo-3-isoxazoline Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC(=C3C=C(NO3)Br)N=O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C/C(=C\3/C=C(NO3)Br)/N=O

InChI

InChI=1S/C17H20BrN3O2/c18-17-11-16(23-20-17)15(19-22)12-21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,11,14,20H,6-10,12H2/b16-15+