2-[(4-tert-butylphenyl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-tert-butylphenyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-tert-butylphenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-tert-butylbenzyl)-4-nitro-isoindoline-1,3-quinone Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4/c1-19(2,3)13-9-7-12(8-10-13)11-20-17(22)14-5-4-6-15(21(24)25)16(14)18(20)23/h4-10H,11H2,1-3H3