(3E)-5,6-dimethyl-3-(nitromethylidene)-2-benzofuran-1-one

Systemtic Name: (3E)-5,6-dimethyl-3-(nitromethylidene)-2-benzofuran-1-one Openeye Name: (3E)-5,6-dimethyl-3-(nitromethylene)isobenzofuran-1-one CAS Name: (3E)-5,6-dimethyl-3-(nitromethylidene)-1-isobenzofuranone IUPAC Name: (3E)-5,6-dimethyl-3-(nitromethylidene)-2-benzofuran-1-one Traditional Name: (3E)-5,6-dimethyl-3-(nitromethylene)phthalide Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO4/c1-6-3-8-9(4-7(6)2)11(13)16-10(8)5-12(14)15/h3-5H,1-2H3/b10-5+