[3-(trifluoromethyl)phenyl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [3-(trifluoromethyl)benzyl] ester Formula: C16H10F3NO6 MolecularWeight: 369.24891

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3NO6/c17-16(18,19)10-3-1-2-9(4-10)7-24-15(21)11-5-13-14(26-8-25-13)6-12(11)20(22)23/h1-6H,7-8H2