N-(4-fluoranyl-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(4-fluoro-3-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C15H13FN2O6S MolecularWeight: 368.336923

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC1

InChI

InChI=1S/C15H13FN2O6S/c16-12-4-2-10(8-13(12)18(19)20)17-25(21,22)11-3-5-14-15(9-11)24-7-1-6-23-14/h2-5,8-9,17H,1,6-7H2