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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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