methyl 8-methoxy-3-oxidanylidene-4,5-dihydro-1-benzoxepine-2-carboxylate

Systemtic Name: methyl 8-methoxy-3-oxidanylidene-4,5-dihydro-1-benzoxepine-2-carboxylate Openeye Name: methyl 8-methoxy-3-oxo-4,5-dihydro-1-benzoxepine-2-carboxylate CAS Name: 8-methoxy-3-oxo-4,5-dihydro-1-benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 8-methoxy-3-oxo-4,5-dihydro-1-benzoxepine-2-carboxylate Traditional Name: 3-keto-8-methoxy-4,5-dihydro-1-benzoxepin-2-carboxylic acid methyl ester Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(=O)C(O2)C(=O)OC)C=C1

Isomeric SMILES

COC1=CC2=C(CCC(=O)C(O2)C(=O)OC)C=C1

InChI

InChI=1S/C13H14O5/c1-16-9-5-3-8-4-6-10(14)12(13(15)17-2)18-11(8)7-9/h3,5,7,12H,4,6H2,1-2H3