(3E)-3-(nitromethylidene)-2-benzofuran-1-one

Systemtic Name: (3E)-3-(nitromethylidene)-2-benzofuran-1-one Openeye Name: (3E)-3-(nitromethylene)isobenzofuran-1-one CAS Name: (3E)-3-(nitromethylidene)-1-isobenzofuranone IUPAC Name: (3E)-3-(nitromethylidene)-2-benzofuran-1-one Traditional Name: (3E)-3-(nitromethylene)phthalide Formula: C9H5NO4 MolecularWeight: 191.1403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5NO4/c11-9-7-4-2-1-3-6(7)8(14-9)5-10(12)13/h1-5H/b8-5+