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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CC(CC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CC(CC(C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O5/c1-5-21(6-2)19(24)13-28-20(25)16-7-8-17(18(10-16)23(26)27)22-11-14(3)9-15(4)12-22/h7-8,10,14-15H,5-6,9,11-13H2,1-4H3