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

Systemtic Name: 2-oxidanylidenepropyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: acetonyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid acetonyl ester Formula: C13H10N2O7 MolecularWeight: 306.2277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O7/c1-7(16)6-22-10(17)5-14-12(18)8-3-2-4-9(15(20)21)11(8)13(14)19/h2-4H,5-6H2,1H3