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

Systemtic Name: 1-[2-(2,4-dichlorophenyl)-2-hexoxy-ethyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-(2,4-dichlorophenyl)-2-hexoxy-ethyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(2,4-dichlorophenyl)-2-hexoxyethyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-hexoxyethyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-(2,4-dichlorophenyl)-2-hexoxy-ethyl]-1,2,4-triazole nitrate Formula: C16H21Cl2N4O4- MolecularWeight: 404.26834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21Cl2N3O.NO3/c1-2-3-4-5-8-22-16(10-21-12-19-11-20-21)14-7-6-13(17)9-15(14)18;2-1(3)4/h6-7,9,11-12,16H,2-5,8,10H2,1H3;/q;-1