N-(4-methylphenyl)-5-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: N-(4-methylphenyl)-5-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[(4-nitrophenoxy)methyl]-N-(p-tolyl)-1H-1,2,4-triazol-3-amine CAS Name: N-(4-methylphenyl)-5-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-amine IUPAC Name: N-(4-methylphenyl)-5-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[(4-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-(p-tolyl)amine Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NNC(=N2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NNC(=N2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3/c1-11-2-4-12(5-3-11)17-16-18-15(19-20-16)10-24-14-8-6-13(7-9-14)21(22)23/h2-9H,10H2,1H3,(H2,17,18,19,20)