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

Systemtic Name: (11E)-11-[2-(benzotriazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-[2-(benzotriazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(1-benzotriazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-[2-(benzotriazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(benzotriazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C23H16N3O3- MolecularWeight: 382.39144

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCN3C4=CC=CC=C4N=N3)C5=C(O1)C=CC(=C5)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CN3C4=CC=CC=C4N=N3)/C5=C(O1)C=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C23H17N3O3/c27-23(28)15-9-10-22-19(13-15)18(17-6-2-1-5-16(17)14-29-22)11-12-26-21-8-4-3-7-20(21)24-25-26/h1-11,13H,12,14H2,(H,27,28)/p-1/b18-11+