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

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-tert-butylphenyl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-20(2,3)13-9-7-12(8-10-13)16(23)11-21-18(24)14-5-4-6-15(22(26)27)17(14)19(21)25/h4-10H,11H2,1-3H3