[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C17H13F2N3O4 MolecularWeight: 361.299626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3N2C(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3N2C(F)F

InChI

InChI=1S/C17H13F2N3O4/c1-10-5-4-8-13(22(24)25)15(10)16(23)26-9-14-20-11-6-2-3-7-12(11)21(14)17(18)19/h2-8,17H,9H2,1H3