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

Systemtic Name: 5-[(4-methoxyphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-methoxyphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-methoxyphenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-methoxyphenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-methoxyphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4/c1-11-9-12(3-8-15(11)21(22)23)17-18-16(19-20-17)10-25-14-6-4-13(24-2)5-7-14/h3-9H,10H2,1-2H3,(H,18,19,20)