3-(3-bromanyl-4-ethoxy-phenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrole

Systemtic Name: 3-(3-bromanyl-4-ethoxy-phenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrole Openeye Name: 3-(3-bromo-4-ethoxy-phenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrole CAS Name: 3-(3-bromo-4-ethoxyphenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrole IUPAC Name: 3-(3-bromo-4-ethoxyphenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrole Traditional Name: 3-(3-bromo-4-ethoxy-phenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrole Formula: C13H10BrF3N2O3 MolecularWeight: 379.12931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(NC=C2[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(NC=C2[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C13H10BrF3N2O3/c1-2-22-10-4-3-7(5-8(10)14)11-9(19(20)21)6-18-12(11)13(15,16)17/h3-6,18H,2H2,1H3