3-(3-methyl-4-nitro-phenyl)-5-(phenoxymethyl)-1H-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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