(4-tert-butylphenyl) 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (4-tert-butylphenyl) 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (4-tert-butylphenyl) 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)benzoic acid (4-tert-butylphenyl) ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O6/c1-25(2,3)16-7-10-19(11-8-16)33-24(30)15-5-4-6-17(13-15)26-22(28)20-12-9-18(27(31)32)14-21(20)23(26)29/h4-14H,1-3H3