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

Systemtic Name: methyl (11E)-11-[2-(benzotriazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (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-carboxylic acid methyl ester IUPAC Name: methyl (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-carboxylic acid methyl ester Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H19N3O3/c1-29-24(28)16-10-11-23-20(14-16)19(18-7-3-2-6-17(18)15-30-23)12-13-27-22-9-5-4-8-21(22)25-26-27/h2-12,14H,13,15H2,1H3/b19-12+