(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O5/c1-11-6-12(2)9-21(8-11)15-5-4-14(7-16(15)22(24)25)18(23)26-10-17-20-19-13(3)27-17/h4-5,7,11-12H,6,8-10H2,1-3H3