5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate

Systemtic Name: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate Openeye Name: 5-(5-nitro-2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate CAS Name: 5-(5-nitro-2-thiophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate IUPAC Name: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate Traditional Name: 5-(5-nitro-2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium nitrate Formula: C10H9F3N4O5S MolecularWeight: 354.26247

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C=C(N1)C(F)(F)F)C2=CC=C(S2)[N+](=O)[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C1C[NH+]=C(C=C(N1)C(F)(F)F)C2=CC=C(S2)[N+](=O)[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C10H8F3N3O2S.NO3/c11-10(12,13)8-5-6(14-3-4-15-8)7-1-2-9(19-7)16(17)18;2-1(3)4/h1-2,5,15H,3-4H2;/q;-1/p+1