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

Systemtic Name: 4-(3-methoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-(3-methoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-(3-methoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-(3-methoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-(3-methoxyphenyl)-5-methyl-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4/c1-12-18-19(11-13-6-8-14(9-7-13)21(23)24)17(22)20(12)15-4-3-5-16(10-15)25-2/h3-10H,11H2,1-2H3