phenyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: phenyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: phenyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid phenyl ester IUPAC Name: phenyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid phenyl ester Formula: C16H7F6N3O4 MolecularWeight: 419.234899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

InChI

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