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

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N2O5/c1-11-7-12(2)10-19(9-11)16-6-5-15(8-17(16)20(23)24)18(22)25-14(4)13(3)21/h5-6,8,11-12,14H,7,9-10H2,1-4H3