methyl 11-pyridin-3-ylimino-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-pyridin-3-ylimino-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(3-pyridylimino)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(3-pyridinylimino)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-pyridin-3-ylimino-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(3-pyridylimino)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=NC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=NC4=CN=CC=C4

InChI

InChI=1S/C21H16N2O3/c1-25-21(24)14-8-9-19-18(11-14)20(23-16-6-4-10-22-12-16)17-7-3-2-5-15(17)13-26-19/h2-12H,13H2,1H3