4-(2-nitro-3-phenyl-1-benzofuran-5-yl)benzoic acid

Systemtic Name: 4-(2-nitro-3-phenyl-1-benzofuran-5-yl)benzoic acid Openeye Name: 4-(2-nitro-3-phenyl-benzofuran-5-yl)benzoic acid CAS Name: 4-(2-nitro-3-phenyl-5-benzofuranyl)benzoic acid IUPAC Name: 4-(2-nitro-3-phenyl-1-benzofuran-5-yl)benzoic acid Traditional Name: 4-(2-nitro-3-phenyl-benzofuran-5-yl)benzoic acid Formula: C21H13NO5 MolecularWeight: 359.33162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H13NO5/c23-21(24)15-8-6-13(7-9-15)16-10-11-18-17(12-16)19(20(27-18)22(25)26)14-4-2-1-3-5-14/h1-12H,(H,23,24)