tert-butyl 4-[2-[(4-nitrophenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-nitrophenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-nitrophenyl)methyl]-3-oxo-isoindolin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-nitrophenyl)methyl]-3-oxo-1H-isoindol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-nitrophenyl)methyl]-3-oxo-1H-isoindol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-2-(4-nitrobenzyl)isoindolin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)[N+](=O)[O-])C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)[N+](=O)[O-])C=C2

InChI

InChI=1S/C24H28N4O5/c1-24(2,3)33-23(30)26-12-10-25(11-13-26)20-9-6-18-16-27(22(29)21(18)14-20)15-17-4-7-19(8-5-17)28(31)32/h4-9,14H,10-13,15-16H2,1-3H3