3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C16H14N4O4 MolecularWeight: 326.30676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14N4O4/c1-23-13-8-5-11(9-14(13)24-2)16-17-15(18-19-16)10-3-6-12(7-4-10)20(21)22/h3-9H,1-2H3,(H,17,18,19)