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

Systemtic Name: 7-[[4-(trifluoromethyl)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[4-(trifluoromethyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[[4-(trifluoromethyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[[4-(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=C(C=C3)C(F)(F)F)OC1

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3NO5/c19-18(20,21)11-4-2-10(3-5-11)16(23)22-13-9-15-14(8-12(13)17(24)25)26-6-1-7-27-15/h2-5,8-9H,1,6-7H2,(H,22,23)(H,24,25)