prop-2-enyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: prop-2-enyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: allyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid allyl ester Formula: C13H7F6N3O4 MolecularWeight: 383.202799

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])N=C1C(F)(F)F

Isomeric SMILES

C=CCOC(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])N=C1C(F)(F)F

InChI

InChI=1S/C13H7F6N3O4/c1-2-3-26-11(23)21-7-4-6(12(14,15)16)5-8(22(24)25)9(7)20-10(21)13(17,18)19/h2,4-5H,1,3H2