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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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