4-(2,6-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-(2,6-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-(2,6-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-(2,6-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-(2,6-dimethylphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-(2,6-dimethylphenyl)-5-methyl-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-12-5-4-6-13(2)17(12)21-14(3)19-20(18(21)23)11-15-7-9-16(10-8-15)22(24)25/h4-10H,11H2,1-3H3