[4-nitro-2,6-bis(trifluoromethyl)benzimidazol-1-yl] benzoate

Systemtic Name: [4-nitro-2,6-bis(trifluoromethyl)benzimidazol-1-yl] benzoate Openeye Name: [4-nitro-2,6-bis(trifluoromethyl)benzimidazol-1-yl] benzoate CAS Name: benzoic acid [4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolyl] ester IUPAC Name: [4-nitro-2,6-bis(trifluoromethyl)benzimidazol-1-yl] benzoate Traditional Name: benzoic acid [4-nitro-2,6-bis(trifluoromethyl)benzimidazol-1-yl] ester Formula: C16H7F6N3O4 MolecularWeight: 419.234899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ON2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ON2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

InChI

InChI=1S/C16H7F6N3O4/c17-15(18,19)9-6-10-12(11(7-9)25(27)28)23-14(16(20,21)22)24(10)29-13(26)8-4-2-1-3-5-8/h1-7H