5-[(4-chloranylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chlorophenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-chlorophenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chlorophenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-chlorophenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C15H11ClN4O3 MolecularWeight: 330.72584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=N2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=N2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O3/c16-11-3-7-13(8-4-11)23-9-14-17-15(19-18-14)10-1-5-12(6-2-10)20(21)22/h1-8H,9H2,(H,17,18,19)