4-(1,3-benzodioxol-5-yl)-3-nitro-2-(trifluoromethyl)-1H-pyrrole

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-nitro-2-(trifluoromethyl)-1H-pyrrole Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-nitro-2-(trifluoromethyl)-1H-pyrrole CAS Name: 4-(1,3-benzodioxol-5-yl)-3-nitro-2-(trifluoromethyl)-1H-pyrrole IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-nitro-2-(trifluoromethyl)-1H-pyrrole Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-nitro-2-(trifluoromethyl)-1H-pyrrole Formula: C12H7F3N2O4 MolecularWeight: 300.19019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F3N2O4/c13-12(14,15)11-10(17(18)19)7(4-16-11)6-1-2-8-9(3-6)21-5-20-8/h1-4,16H,5H2