methyl 9-[bis(fluoranyl)methyl]-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 9-[bis(fluoranyl)methyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 9-(difluoromethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-(difluoromethyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 9-(difluoromethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-(difluoromethyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C13H12F2O3 MolecularWeight: 254.229386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C(=CC=C2)C(F)F)OCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C(=CC=C2)C(F)F)OCC1

InChI

InChI=1S/C13H12F2O3/c1-17-13(16)9-5-6-18-11-8(7-9)3-2-4-10(11)12(14)15/h2-4,7,12H,5-6H2,1H3