(3R)-7-nitro-3-(2-oxidanylidenepropyl)-3H-2-benzofuran-1-one

Systemtic Name: (3R)-7-nitro-3-(2-oxidanylidenepropyl)-3H-2-benzofuran-1-one Openeye Name: (3R)-3-acetonyl-7-nitro-3H-isobenzofuran-1-one CAS Name: (3R)-7-nitro-3-(2-oxopropyl)-3H-isobenzofuran-1-one IUPAC Name: (3R)-7-nitro-3-(2-oxopropyl)-3H-2-benzofuran-1-one Traditional Name: (3R)-3-acetonyl-7-nitro-phthalide Formula: C11H9NO5 MolecularWeight: 235.19286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CC(=O)C[C@@H]1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C11H9NO5/c1-6(13)5-9-7-3-2-4-8(12(15)16)10(7)11(14)17-9/h2-4,9H,5H2,1H3/t9-/m1/s1