tert-butyl 3-acetyloxy-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2,6-bis(oxidanylidene)piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-acetyloxy-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2,6-bis(oxidanylidene)piperidine-1-carboxylate Openeye Name: tert-butyl 3-acetoxy-5-(4-nitro-1,3-dioxo-isoindolin-2-yl)-2,6-dioxo-piperidine-1-carboxylate CAS Name: 3-acetyloxy-5-(4-nitro-1,3-dioxo-2-isoindolyl)-2,6-dioxo-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyloxy-5-(4-nitro-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidine-1-carboxylate Traditional Name: 3-acetoxy-5-(1,3-diketo-4-nitro-isoindolin-2-yl)-2,6-diketo-piperidine-1-carboxylic acid tert-butyl ester Formula: C20H19N3O10 MolecularWeight: 461.37896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(=O)N(C1=O)C(=O)OC(C)(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1CC(C(=O)N(C1=O)C(=O)OC(C)(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O10/c1-9(24)32-13-8-12(16(26)22(17(13)27)19(29)33-20(2,3)4)21-15(25)10-6-5-7-11(23(30)31)14(10)18(21)28/h5-7,12-13H,8H2,1-4H3