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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7/c1-16(2,3)11(19)8-25-12(20)7-17-14(21)9-5-4-6-10(18(23)24)13(9)15(17)22/h4-6H,7-8H2,1-3H3