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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2NO5/c18-9-2-3-10(12(19)6-9)16(21)20-13-8-15-14(7-11(13)17(22)23)24-4-1-5-25-15/h2-3,6-8H,1,4-5H2,(H,20,21)(H,22,23)/p-1