sodium (11E)-11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: sodium (11E)-11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: sodium (11E)-11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: sodium (11E)-11-[2-(1-benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: sodium (11E)-11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: sodium (11E)-11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C24H17N2NaO3 MolecularWeight: 404.39315

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCN3C=NC4=CC=CC=C43)C5=C(O1)C=CC(=C5)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CN3C=NC4=CC=CC=C43)/C5=C(O1)C=CC(=C5)C(=O)[O-].[Na+]

InChI

InChI=1S/C24H18N2O3.Na/c27-24(28)16-9-10-23-20(13-16)19(18-6-2-1-5-17(18)14-29-23)11-12-26-15-25-21-7-3-4-8-22(21)26;/h1-11,13,15H,12,14H2,(H,27,28);/q;+1/p-1/b19-11+;