5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one

Systemtic Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-benzyloxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one IUPAC Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one Traditional Name: 4-(4-benzoxyphenyl)-5-methyl-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4/c1-17-24-25(15-18-7-9-21(10-8-18)27(29)30)23(28)26(17)20-11-13-22(14-12-20)31-16-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3