[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)N3CC(CC(C3)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)N3CC(CC(C3)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H33N3O5/c1-15-10-16(2)13-24(12-15)20-9-8-19(11-21(20)26(29)30)23(28)31-14-22(27)25-17(3)6-5-7-18(25)4/h8-9,11,15-18H,5-7,10,12-14H2,1-4H3