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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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