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

Systemtic Name: 1-[2-(4-chlorophenyl)-2-prop-2-enoxy-ethyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-allyloxy-2-(4-chlorophenyl)ethyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(4-chlorophenyl)-2-prop-2-enoxyethyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(4-chlorophenyl)-2-prop-2-enoxyethyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-allyloxy-2-(4-chlorophenyl)ethyl]-1,2,4-triazole nitrate Formula: C13H14ClN4O4- MolecularWeight: 325.72766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O.NO3/c1-2-7-18-13(8-17-10-15-9-16-17)11-3-5-12(14)6-4-11;2-1(3)4/h2-6,9-10,13H,1,7-8H2;/q;-1