(11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(3-benzo[f]benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C28H19N2O3- MolecularWeight: 431.46206

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCN3C=NC4=CC5=CC=CC=C5C=C43)C6=C(O1)C=CC(=C6)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CN3C=NC4=CC5=CC=CC=C5C=C43)/C6=C(O1)C=CC(=C6)C(=O)[O-]

InChI

InChI=1S/C28H20N2O3/c31-28(32)20-9-10-27-24(13-20)23(22-8-4-3-7-21(22)16-33-27)11-12-30-17-29-25-14-18-5-1-2-6-19(18)15-26(25)30/h1-11,13-15,17H,12,16H2,(H,31,32)/p-1/b23-11+