4-[[4-bromanyl-2,6-bis(trifluoromethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-dioxol-2-one

Systemtic Name: 4-[[4-bromanyl-2,6-bis(trifluoromethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-dioxol-2-one Openeye Name: 4-[[4-bromo-2,6-bis(trifluoromethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-dioxol-2-one CAS Name: 4-[[4-bromo-2,6-bis(trifluoromethyl)-1-benzimidazolyl]methyl]-5-methyl-1,3-dioxol-2-one IUPAC Name: 4-[[4-bromo-2,6-bis(trifluoromethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-dioxol-2-one Traditional Name: 4-[[4-bromo-2,6-bis(trifluoromethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-dioxol-2-one Formula: C14H7BrF6N2O3 MolecularWeight: 445.111399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)CN2C3=C(C(=CC(=C3)C(F)(F)F)Br)N=C2C(F)(F)F

Isomeric SMILES

CC1=C(OC(=O)O1)CN2C3=C(C(=CC(=C3)C(F)(F)F)Br)N=C2C(F)(F)F

InChI

InChI=1S/C14H7BrF6N2O3/c1-5-9(26-12(24)25-5)4-23-8-3-6(13(16,17)18)2-7(15)10(8)22-11(23)14(19,20)21/h2-3H,4H2,1H3