4-hex-4-yn-2-yloxy-7-nitro-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-3H-benzimidazole-5-carbonitrile

Systemtic Name: 4-hex-4-yn-2-yloxy-7-nitro-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-3H-benzimidazole-5-carbonitrile Openeye Name: 4-(1-methylpent-3-ynoxy)-7-nitro-2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazole-5-carbonitrile CAS Name: 4-hex-4-yn-2-yloxy-7-nitro-2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazole-5-carbonitrile IUPAC Name: 4-hex-4-yn-2-yloxy-7-nitro-2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazole-5-carbonitrile Traditional Name: 4-(1-methylpent-3-ynoxy)-7-nitro-2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazole-5-carbonitrile Formula: C16H11F5N4O3 MolecularWeight: 402.275556

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)OC1=C2C(=C(C=C1C#N)[N+](=O)[O-])N=C(N2)C(C(F)(F)F)(F)F

Isomeric SMILES

CC#CCC(C)OC1=C2C(=C(C=C1C#N)[N+](=O)[O-])N=C(N2)C(C(F)(F)F)(F)F

InChI

InChI=1S/C16H11F5N4O3/c1-3-4-5-8(2)28-13-9(7-22)6-10(25(26)27)11-12(13)24-14(23-11)15(17,18)16(19,20)21/h6,8H,5H2,1-2H3,(H,23,24)