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

Systemtic Name: methyl (11E)-11-[2-(6-nitrobenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (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-carboxylic acid methyl ester IUPAC Name: methyl (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-carboxylic acid methyl ester Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4C=NC5=C4C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4C=NC5=C4C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O5/c1-32-25(29)16-6-9-24-21(12-16)20(19-5-3-2-4-17(19)14-33-24)10-11-27-15-26-22-8-7-18(28(30)31)13-23(22)27/h2-10,12-13,15H,11,14H2,1H3/b20-10+