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

Systemtic Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-isopropylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one IUPAC Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 5-methyl-2-(4-nitrobenzyl)-4-p-cumenyl-1,2,4-triazol-3-one Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-13(2)16-6-10-17(11-7-16)22-14(3)20-21(19(22)24)12-15-4-8-18(9-5-15)23(25)26/h4-11,13H,12H2,1-3H3