1-[2-(2,4-dichlorophenyl)-5-naphthalen-2-yloxy-pentyl]-1,2,4-triazole nitrate

Systemtic Name: 1-[2-(2,4-dichlorophenyl)-5-naphthalen-2-yloxy-pentyl]-1,2,4-triazole nitrate Openeye Name: 1-[2-(2,4-dichlorophenyl)-5-(2-naphthyloxy)pentyl]-1,2,4-triazole nitrate CAS Name: 1-[2-(2,4-dichlorophenyl)-5-(2-naphthalenyloxy)pentyl]-1,2,4-triazole nitrate IUPAC Name: 1-[2-(2,4-dichlorophenyl)-5-naphthalen-2-yloxypentyl]-1,2,4-triazole nitrate Traditional Name: 1-[2-(2,4-dichlorophenyl)-5-(2-naphthoxy)pentyl]-1,2,4-triazole nitrate Formula: C23H21Cl2N4O4- MolecularWeight: 488.34324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCCCC(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCCCC(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C23H21Cl2N3O.NO3/c24-20-8-10-22(23(25)13-20)19(14-28-16-26-15-27-28)6-3-11-29-21-9-7-17-4-1-2-5-18(17)12-21;2-1(3)4/h1-2,4-5,7-10,12-13,15-16,19H,3,6,11,14H2;/q;-1