1,2-diazepin-1-ium 1-oxide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1,2-diazepin-1-ium 1-oxide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: diazepin-1-ium 1-oxide; 2,2,2-trifluoroacetic acid CAS Name: diazepin-1-ium 1-oxide; 2,2,2-trifluoroacetic acid IUPAC Name: diazepin-1-ium 1-oxide; 2,2,2-trifluoroacetic acid Traditional Name: diazepin-1-ium 1-oxide; 2,2,2-trifluoroacetic acid Formula: C9H7F6N2O5+ MolecularWeight: 337.152699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=N[N+](=O)C=C1.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=N[N+](=O)C=C1.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C5H5N2O.2C2HF3O2/c8-7-5-3-1-2-4-6-7;2*3-2(4,5)1(6)7/h1-5H;2*(H,6,7)/q+1;;