7-nitro-N-oct-2-ynyl-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-amine

Systemtic Name: 7-nitro-N-oct-2-ynyl-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-amine Openeye Name: 7-nitro-N-oct-2-ynyl-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-amine CAS Name: 7-nitro-N-oct-2-ynyl-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-amine IUPAC Name: 7-nitro-N-oct-2-ynyl-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-amine Traditional Name: [7-nitro-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-yl]-oct-2-ynyl-amine Formula: C17H16F6N4O2 MolecularWeight: 422.324959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCNC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=N2)C(F)(F)F

Isomeric SMILES

CCCCCC#CCNC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=N2)C(F)(F)F

InChI

InChI=1S/C17H16F6N4O2/c1-2-3-4-5-6-7-8-24-12-10(16(18,19)20)9-11(27(28)29)13-14(12)26-15(25-13)17(21,22)23/h9,24H,2-5,8H2,1H3,(H,25,26)