3-(4-chloranyl-3-nitro-phenyl)-5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole Openeye Name: 3-(4-chloro-3-nitro-phenyl)-5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole CAS Name: 3-(4-chloro-3-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole IUPAC Name: 3-(4-chloro-3-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole Traditional Name: 3-(4-chloro-3-nitro-phenyl)-5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole Formula: C16H13ClN4O4 MolecularWeight: 360.75182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O4/c1-24-11-3-5-12(6-4-11)25-9-15-18-16(20-19-15)10-2-7-13(17)14(8-10)21(22)23/h2-8H,9H2,1H3,(H,18,19,20)