(5-cyano-2-fluoranyl-phenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C17H11FN2O6 MolecularWeight: 358.277443

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C17H11FN2O6/c18-13-2-1-10(8-19)5-11(13)9-26-17(21)12-6-15-16(25-4-3-24-15)7-14(12)20(22)23/h1-2,5-7H,3-4,9H2