tert-butyl 4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H22N4O7 MolecularWeight: 418.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O7/c1-19(2,3)30-18(27)21-9-7-20(8-10-21)14(24)11-22-16(25)12-5-4-6-13(23(28)29)15(12)17(22)26/h4-6H,7-11H2,1-3H3