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

Systemtic Name: 5-methyl-4-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 5-methyl-4-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 5-methyl-4-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 5-methyl-2-(4-nitrobenzyl)-4-(p-tolyl)-1,2,4-triazol-3-one Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O3/c1-12-3-7-15(8-4-12)20-13(2)18-19(17(20)22)11-14-5-9-16(10-6-14)21(23)24/h3-10H,11H2,1-2H3