(3,3-dimethyl-2-oxidanylidene-butyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-13-8-14(2)11-21(10-13)16-7-6-15(9-17(16)22(25)26)19(24)27-12-18(23)20(3,4)5/h6-7,9,13-14H,8,10-12H2,1-5H3