(2-tert-butyl-4-methyl-phenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C25H28N2O6/c1-16-12-13-20(18(15-16)25(2,3)4)33-21(28)11-6-5-7-14-26-23(29)17-9-8-10-19(27(31)32)22(17)24(26)30/h8-10,12-13,15H,5-7,11,14H2,1-4H3