(3S)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(1R)-1-nitroethyl]phthalide Formula: C10H9NO4 MolecularWeight: 207.18276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@@H]1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-]

InChI

InChI=1S/C10H9NO4/c1-6(11(13)14)9-7-4-2-3-5-8(7)10(12)15-9/h2-6,9H,1H3/t6-,9-/m1/s1