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

Systemtic Name: butyl 3-acetyloxy-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2,6-bis(oxidanylidene)piperidine-1-carboxylate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C20H19N3O10 MolecularWeight: 461.37896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1C(=O)C(CC(C1=O)OC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)N1C(=O)C(CC(C1=O)OC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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