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

Systemtic Name: 2-oxidanylidenepropyl 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: acetonyl 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid acetonyl ester Formula: C14H12N2O7 MolecularWeight: 320.25428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O7/c1-8(17)7-23-11(18)5-6-15-13(19)9-3-2-4-10(16(21)22)12(9)14(15)20/h2-4H,5-7H2,1H3