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

Systemtic Name: (11E)-11-[2-(6-nitrobenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-[2-(6-nitrobenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(6-nitro-1-benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-[2-(6-nitrobenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(6-nitrobenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C24H16N3O5- MolecularWeight: 426.40094

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCN3C=NC4=C3C=C(C=C4)[N+](=O)[O-])C5=C(O1)C=CC(=C5)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CN3C=NC4=C3C=C(C=C4)[N+](=O)[O-])/C5=C(O1)C=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C24H17N3O5/c28-24(29)15-5-8-23-20(11-15)19(18-4-2-1-3-16(18)13-32-23)9-10-26-14-25-21-7-6-17(27(30)31)12-22(21)26/h1-9,11-12,14H,10,13H2,(H,28,29)/p-1/b19-9+