(11Z)-11-[2-(benzimidazol-1-yl)ethylidene]-9-bromanyl-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: (11Z)-11-[2-(benzimidazol-1-yl)ethylidene]-9-bromanyl-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11Z)-11-[2-(benzimidazol-1-yl)ethylidene]-9-bromo-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11Z)-11-[2-(1-benzimidazolyl)ethylidene]-9-bromo-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11Z)-11-[2-(benzimidazol-1-yl)ethylidene]-9-bromo-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11Z)-11-[2-(benzimidazol-1-yl)ethylidene]-9-bromo-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C24H16BrN2O3- MolecularWeight: 460.29944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)Br)C(=CCN3C=NC4=CC=CC=C43)C5=C(O1)C=CC(=C5)C(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)Br)/C(=C/CN3C=NC4=CC=CC=C43)/C5=C(O1)C=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C24H17BrN2O3/c25-17-7-5-16-13-30-23-8-6-15(24(28)29)11-20(23)18(19(16)12-17)9-10-27-14-26-21-3-1-2-4-22(21)27/h1-9,11-12,14H,10,13H2,(H,28,29)/p-1/b18-9-