ditert-butyl 2-oxidanylidene-5-(trifluoromethyl)benzimidazole-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-oxidanylidene-5-(trifluoromethyl)benzimidazole-1,3-dicarboxylate Openeye Name: ditert-butyl 2-oxo-5-(trifluoromethyl)benzimidazole-1,3-dicarboxylate CAS Name: 2-oxo-5-(trifluoromethyl)benzimidazole-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-oxo-5-(trifluoromethyl)benzimidazole-1,3-dicarboxylate Traditional Name: 2-keto-5-(trifluoromethyl)benzimidazole-1,3-dicarboxylic acid ditert-butyl ester Formula: C18H21F3N2O5 MolecularWeight: 402.36495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21F3N2O5/c1-16(2,3)27-14(25)22-11-8-7-10(18(19,20)21)9-12(11)23(13(22)24)15(26)28-17(4,5)6/h7-9H,1-6H3