[2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-bromanylbenzoate

Systemtic Name: [2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-bromanylbenzoate Openeye Name: [2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-keto-2-(4-nitrobenzylidene)coumaran-6-yl] ester Formula: C22H12BrNO6 MolecularWeight: 466.23778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])O3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])O3)Br

InChI

InChI=1S/C22H12BrNO6/c23-18-4-2-1-3-16(18)22(26)29-15-9-10-17-19(12-15)30-20(21(17)25)11-13-5-7-14(8-6-13)24(27)28/h1-12H