[2-(trifluoromethyl)phenyl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(trifluoromethyl)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 [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(trifluoromethyl)benzyl] ester Formula: C17H12F3NO6 MolecularWeight: 383.27549

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H12F3NO6/c18-17(19,20)12-4-2-1-3-10(12)9-27-16(22)11-7-14-15(26-6-5-25-14)8-13(11)21(23)24/h1-4,7-8H,5-6,9H2