tert-butyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-18(2,3)28-17(25)20-8-6-19(7-9-20)11-21-15(23)13-5-4-12(22(26)27)10-14(13)16(21)24/h4-5,10H,6-9,11H2,1-3H3