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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3/c1-11-4-2-3-5-14(11)23-10-15-17-16(19-18-15)12-6-8-13(9-7-12)20(21)22/h2-9H,10H2,1H3,(H,17,18,19)