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

Systemtic Name: 1-[2-(4-chlorophenyl)-2-heptoxy-ethyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-(4-chlorophenyl)-2-heptoxy-ethyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(4-chlorophenyl)-2-heptoxyethyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(4-chlorophenyl)-2-heptoxyethyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-(4-chlorophenyl)-2-heptoxy-ethyl]-1,2,4-triazole nitrate Formula: C17H24ClN4O4- MolecularWeight: 383.84986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O.NO3/c1-2-3-4-5-6-11-22-17(12-21-14-19-13-20-21)15-7-9-16(18)10-8-15;2-1(3)4/h7-10,13-14,17H,2-6,11-12H2,1H3;/q;-1