1-[2-(2,4-dichlorophenyl)-3-methyl-pentyl]-1,2,4-triazole nitrate

Systemtic Name: 1-[2-(2,4-dichlorophenyl)-3-methyl-pentyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-(2,4-dichlorophenyl)-3-methyl-pentyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(2,4-dichlorophenyl)-3-methylpentyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(2,4-dichlorophenyl)-3-methylpentyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-(2,4-dichlorophenyl)-3-methyl-pentyl]-1,2,4-triazole nitrate Formula: C14H17Cl2N4O3- MolecularWeight: 360.21578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N3.NO3/c1-3-10(2)13(7-19-9-17-8-18-19)12-5-4-11(15)6-14(12)16;2-1(3)4/h4-6,8-10,13H,3,7H2,1-2H3;/q;-1