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

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-21(2,3)12-5-8-17(30-4)16(9-12)22-18(25)11-23-19(26)14-7-6-13(24(28)29)10-15(14)20(23)27/h5-10H,11H2,1-4H3,(H,22,25)