[2-[(4-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate

Systemtic Name: [2-[(4-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [2-[(4-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(4-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-bromobenzylidene)-3-keto-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)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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