ethyl 9-oxidanyl-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-oxidanyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-hydroxy-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-hydroxy-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-hydroxy-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-hydroxy-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)O)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)O)OCC1

InChI

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