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

Systemtic Name: 2-(4-tert-butylphenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(4-tert-butylphenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-tert-butylphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(4-tert-butylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-tert-butylphenyl)-4-nitro-isoindoline-1,3-quinone Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-18(2,3)11-7-9-12(10-8-11)19-16(21)13-5-4-6-14(20(23)24)15(13)17(19)22/h4-10H,1-3H3