methyl 3-oxidanylidene-4,5-dihydro-1-benzoxepine-7-carboxylate

Systemtic Name: methyl 3-oxidanylidene-4,5-dihydro-1-benzoxepine-7-carboxylate Openeye Name: methyl 3-oxo-4,5-dihydro-1-benzoxepine-7-carboxylate CAS Name: 3-oxo-4,5-dihydro-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-4,5-dihydro-1-benzoxepine-7-carboxylate Traditional Name: 3-keto-4,5-dihydro-1-benzoxepin-7-carboxylic acid methyl ester Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(=O)CC2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(=O)CC2

InChI

InChI=1S/C12H12O4/c1-15-12(14)9-3-5-11-8(6-9)2-4-10(13)7-16-11/h3,5-6H,2,4,7H2,1H3