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

Systemtic Name: 1-[2-(2,4-dichlorophenyl)-2-heptoxy-ethyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-(2,4-dichlorophenyl)-2-heptoxy-ethyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(2,4-dichlorophenyl)-2-heptoxyethyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-heptoxyethyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-(2,4-dichlorophenyl)-2-heptoxy-ethyl]-1,2,4-triazole nitrate Formula: C17H23Cl2N4O4- MolecularWeight: 418.29492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23Cl2N3O.NO3/c1-2-3-4-5-6-9-23-17(11-22-13-20-12-21-22)15-8-7-14(18)10-16(15)19;2-1(3)4/h7-8,10,12-13,17H,2-6,9,11H2,1H3;/q;-1