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

Systemtic Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C17H16N4O3 MolecularWeight: 324.33394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3/c1-11-3-4-12(2)15(9-11)24-10-16-18-17(20-19-16)13-5-7-14(8-6-13)21(22)23/h3-9H,10H2,1-2H3,(H,18,19,20)