N-tert-butyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-tert-butyl-2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-benzyl-N-tert-butyl-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-21(2,3)23(12-14-7-5-4-6-8-14)18(25)13-22-19(26)16-10-9-15(24(28)29)11-17(16)20(22)27/h4-11H,12-13H2,1-3H3