7-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[(2,6-difluorophenyl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C17H12F2NO5- MolecularWeight: 348.277686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)C3=C(C=CC=C3F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)C3=C(C=CC=C3F)F)OC1

InChI

InChI=1S/C17H13F2NO5/c18-10-3-1-4-11(19)15(10)16(21)20-12-8-14-13(7-9(12)17(22)23)24-5-2-6-25-14/h1,3-4,7-8H,2,5-6H2,(H,20,21)(H,22,23)/p-1