2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-4-nitro-isoindoline-1,3-quinone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C21H22N2O4/c1-12-9-14(21(3,4)5)10-13(2)16(12)11-22-19(24)15-7-6-8-17(23(26)27)18(15)20(22)25/h6-10H,11H2,1-5H3