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

Systemtic Name: [1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(dimethylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5/c1-12-8-13(2)11-21(10-12)16-7-6-15(9-17(16)22(25)26)19(24)27-14(3)18(23)20(4)5/h6-7,9,12-14H,8,10-11H2,1-5H3