4,4-dimethyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 4,4-dimethyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 4,4-dimethyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-3-oxo-N-phenyl-pentanamide CAS Name: 4,4-dimethyl-2-(5-nitro-1,3-dioxo-2-isoindolyl)-3-oxo-N-phenylpentanamide IUPAC Name: 4,4-dimethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)-3-oxo-N-phenylpentanamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(=O)NC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C(C(=O)NC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-21(2,3)17(25)16(18(26)22-12-7-5-4-6-8-12)23-19(27)14-10-9-13(24(29)30)11-15(14)20(23)28/h4-11,16H,1-3H3,(H,22,26)