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

Systemtic Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one Openeye Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one CAS Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one IUPAC Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one Traditional Name: 5-methyl-2-(4-nitrobenzyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4/c1-16-23-24(15-17-7-9-19(10-8-17)26(28)29)22(27)25(16)18-11-13-21(14-12-18)30-20-5-3-2-4-6-20/h2-14H,15H2,1H3