ethyl 5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-4-carboxylate Openeye Name: ethyl 5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate CAS Name: 5-oxo-3,4-dihydro-2H-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate Traditional Name: 5-keto-3,4-dihydro-2H-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCOC2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)C1CCOC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H14O4/c1-2-16-13(15)10-7-8-17-11-6-4-3-5-9(11)12(10)14/h3-6,10H,2,7-8H2,1H3