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

Systemtic Name: 4-(2-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-(2-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-(2-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-(2-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-(2-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C16H13ClN4O3 MolecularWeight: 344.75242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=CC=C2Cl)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=CC=C2Cl)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O3/c1-11-18-19(10-12-6-8-13(9-7-12)21(23)24)16(22)20(11)15-5-3-2-4-14(15)17/h2-9H,10H2,1H3