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

Systemtic Name: (11E)-11-(2-imidazol-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-(2-imidazol-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(1-imidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-(2-imidazol-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-(2-imidazol-1-ylethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C20H15N2O3- MolecularWeight: 331.3447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCN3C=CN=C3)C4=C(O1)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CN3C=CN=C3)/C4=C(O1)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H16N2O3/c23-20(24)14-5-6-19-18(11-14)17(7-9-22-10-8-21-13-22)16-4-2-1-3-15(16)12-25-19/h1-8,10-11,13H,9,12H2,(H,23,24)/p-1/b17-7+