[2-(2-nitrooxyethyl)-3-oxidanylidene-1H-isoindol-1-yl] ethanoate

Systemtic Name: [2-(2-nitrooxyethyl)-3-oxidanylidene-1H-isoindol-1-yl] ethanoate Openeye Name: [2-(2-nitrooxyethyl)-3-oxo-isoindolin-1-yl] acetate CAS Name: acetic acid [2-(2-nitrooxyethyl)-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: [2-(2-nitrooxyethyl)-3-oxo-1H-isoindol-1-yl] acetate Traditional Name: acetic acid [3-keto-2-(2-nitrooxyethyl)isoindolin-1-yl] ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=CC=CC=C2C(=O)N1CCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1C2=CC=CC=C2C(=O)N1CCO[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6/c1-8(15)20-12-10-5-3-2-4-9(10)11(16)13(12)6-7-19-14(17)18/h2-5,12H,6-7H2,1H3