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

Systemtic Name: 1-[2-(4-chlorophenyl)-2-propan-2-yloxy-ethyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-(4-chlorophenyl)-2-isopropoxy-ethyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(4-chlorophenyl)-2-propan-2-yloxyethyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(4-chlorophenyl)-2-propan-2-yloxyethyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-(4-chlorophenyl)-2-isopropoxy-ethyl]-1,2,4-triazole nitrate Formula: C13H16ClN4O4- MolecularWeight: 327.74354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O.NO3/c1-10(2)18-13(7-17-9-15-8-16-17)11-3-5-12(14)6-4-11;2-1(3)4/h3-6,8-10,13H,7H2,1-2H3;/q;-1