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

Systemtic Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(2,5-dimethylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-11-4-5-12(2)16(8-11)25-10-17-19-18(21-20-17)14-6-7-15(22(23)24)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,20,21)