3-methyl-7-nitro-3H-2-benzofuran-1-one

Systemtic Name: 3-methyl-7-nitro-3H-2-benzofuran-1-one Openeye Name: 3-methyl-7-nitro-3H-isobenzofuran-1-one CAS Name: 3-methyl-7-nitro-3H-isobenzofuran-1-one IUPAC Name: 3-methyl-7-nitro-3H-2-benzofuran-1-one Traditional Name: 3-methyl-7-nitro-phthalide Formula: C9H7NO4 MolecularWeight: 193.15618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO4/c1-5-6-3-2-4-7(10(12)13)8(6)9(11)14-5/h2-5H,1H3