methyl 3-oxidanylidene-2-pyridin-2-yl-1,5-benzodioxepine-4-carboxylate

Systemtic Name: methyl 3-oxidanylidene-2-pyridin-2-yl-1,5-benzodioxepine-4-carboxylate Openeye Name: methyl 3-oxo-2-(2-pyridyl)-1,5-benzodioxepine-4-carboxylate CAS Name: 3-oxo-2-(2-pyridinyl)-1,5-benzodioxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-pyridin-2-yl-1,5-benzodioxepine-4-carboxylate Traditional Name: 3-keto-2-(2-pyridyl)-1,5-benzodioxepin-4-carboxylic acid methyl ester Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)C(OC2=CC=CC=C2O1)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1C(=O)C(OC2=CC=CC=C2O1)C3=CC=CC=N3

InChI

InChI=1S/C16H13NO5/c1-20-16(19)15-13(18)14(10-6-4-5-9-17-10)21-11-7-2-3-8-12(11)22-15/h2-9,14-15H,1H3