3,3-bis(4-hydroxyphenyl)-7-nitro-2-benzofuran-1-one

Systemtic Name: 3,3-bis(4-hydroxyphenyl)-7-nitro-2-benzofuran-1-one Openeye Name: 3,3-bis(4-hydroxyphenyl)-7-nitro-isobenzofuran-1-one CAS Name: 3,3-bis(4-hydroxyphenyl)-7-nitro-1-isobenzofuranone IUPAC Name: 3,3-bis(4-hydroxyphenyl)-7-nitro-2-benzofuran-1-one Traditional Name: 3,3-bis(4-hydroxyphenyl)-7-nitro-phthalide Formula: C20H13NO6 MolecularWeight: 363.32032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H13NO6/c22-14-8-4-12(5-9-14)20(13-6-10-15(23)11-7-13)16-2-1-3-17(21(25)26)18(16)19(24)27-20/h1-11,22-23H