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

Systemtic Name: (11E)-11-(2-pyridin-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-[2-(3-pyridyl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(3-pyridinyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-(2-pyridin-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(3-pyridyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C22H16NO3- MolecularWeight: 342.36734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCC3=CN=CC=C3)C4=C(O1)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CC3=CN=CC=C3)/C4=C(O1)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C22H17NO3/c24-22(25)16-8-10-21-20(12-16)19(9-7-15-4-3-11-23-13-15)18-6-2-1-5-17(18)14-26-21/h1-6,8-13H,7,14H2,(H,24,25)/p-1/b19-9+