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

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC3=O)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC3=O)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O6/c1-13-8-14(2)11-21(10-13)16-6-5-15(9-17(16)23(27)28)20(26)29-12-19(25)22-7-3-4-18(22)24/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3