5-methyl-6-nitro-3-oxidanyl-3H-2-benzofuran-1-one

Systemtic Name: 5-methyl-6-nitro-3-oxidanyl-3H-2-benzofuran-1-one Openeye Name: 3-hydroxy-5-methyl-6-nitro-3H-isobenzofuran-1-one CAS Name: 3-hydroxy-5-methyl-6-nitro-3H-isobenzofuran-1-one IUPAC Name: 3-hydroxy-5-methyl-6-nitro-3H-2-benzofuran-1-one Traditional Name: 3-hydroxy-5-methyl-6-nitro-phthalide Formula: C9H7NO5 MolecularWeight: 209.15558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(OC2=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(OC2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO5/c1-4-2-5-6(3-7(4)10(13)14)9(12)15-8(5)11/h2-3,8,11H,1H3