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

Systemtic Name: [2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(3-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(3-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(=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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