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

Systemtic Name: 5-[(4-chloranyl-2-methyl-phenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-2-methyl-phenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-2-methyl-phenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C16H13ClN4O3 MolecularWeight: 344.75242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O3/c1-10-8-12(17)4-7-14(10)24-9-15-18-16(20-19-15)11-2-5-13(6-3-11)21(22)23/h2-8H,9H2,1H3,(H,18,19,20)