1-[2-(4-chlorophenyl)-2-hexoxy-ethyl]-1,2,4-triazole nitrate

Systemtic Name: 1-[2-(4-chlorophenyl)-2-hexoxy-ethyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-(4-chlorophenyl)-2-hexoxy-ethyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(4-chlorophenyl)-2-hexoxyethyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(4-chlorophenyl)-2-hexoxyethyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-(4-chlorophenyl)-2-hexoxy-ethyl]-1,2,4-triazole nitrate Formula: C16H22ClN4O4- MolecularWeight: 369.82328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(CN1C=NC=N1)C2=CC=C(C=C2)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCOC(CN1C=NC=N1)C2=CC=C(C=C2)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C16H22ClN3O.NO3/c1-2-3-4-5-10-21-16(11-20-13-18-12-19-20)14-6-8-15(17)9-7-14;2-1(3)4/h6-9,12-13,16H,2-5,10-11H2,1H3;/q;-1