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

Systemtic Name: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 5-(5-nitro-2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 5-(5-nitro-2-thiophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 5-(5-nitrothiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 5-(5-nitro-2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C10H9F3N3O2S+ MolecularWeight: 292.25757

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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-]

Isomeric SMILES

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

InChI

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