tert-butyl 4-[(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-nitro-1-oxo-isoindolin-2-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(7-nitro-3-oxo-1H-isoindol-2-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-nitro-3-oxo-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(1-keto-4-nitro-isoindolin-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5/c1-19(2,3)27-18(24)20-9-7-13(8-10-20)11-21-12-15-14(17(21)23)5-4-6-16(15)22(25)26/h4-6,13H,7-12H2,1-3H3