3-[[[3-(trifluoromethyl)phenyl]amino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one

Systemtic Name: 3-[[[3-(trifluoromethyl)phenyl]amino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one Openeye Name: 3-[[3-(trifluoromethyl)anilino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one CAS Name: 3-[[3-(trifluoromethyl)anilino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one IUPAC Name: 3-[[3-(trifluoromethyl)anilino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one Traditional Name: 3-[[3-(trifluoromethyl)anilino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one Formula: C17H14F3NO3 MolecularWeight: 337.29317

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C2O1)CNC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C2O1)CNC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3NO3/c18-17(19,20)11-4-3-5-12(8-11)21-9-13-10-23-15-7-2-1-6-14(15)16(22)24-13/h1-8,13,21H,9-10H2