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

Systemtic Name: [2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate Openeye Name: [2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate Traditional Name: 4-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(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

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