7-[[2-(trifluoromethyl)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[[2-(trifluoromethyl)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[2-(trifluoromethyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[[2-(trifluoromethyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[[2-(trifluoromethyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C18H14F3NO5 MolecularWeight: 381.30267

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=CC=CC=C3C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=CC=CC=C3C(F)(F)F)OC1

InChI

InChI=1S/C18H14F3NO5/c19-18(20,21)12-5-2-1-4-10(12)16(23)22-13-9-15-14(8-11(13)17(24)25)26-6-3-7-27-15/h1-2,4-5,8-9H,3,6-7H2,(H,22,23)(H,24,25)