(3,3-dimethyl-2-oxidanylidene-butyl) 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-21(2,3)16(24)11-30-20(27)12-7-9-13(10-8-12)22-18(25)14-5-4-6-15(23(28)29)17(14)19(22)26/h4-10H,11H2,1-3H3