2-(2,4-dichlorophenyl)-5-methyl-4-(2-nitrophenyl)carbonyl-1,2,4-triazol-3-one

Systemtic Name: 2-(2,4-dichlorophenyl)-5-methyl-4-(2-nitrophenyl)carbonyl-1,2,4-triazol-3-one Openeye Name: 2-(2,4-dichlorophenyl)-5-methyl-4-(2-nitrobenzoyl)-1,2,4-triazol-3-one CAS Name: 2-(2,4-dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)-oxomethyl]-1,2,4-triazol-3-one IUPAC Name: 2-(2,4-dichlorophenyl)-5-methyl-4-(2-nitrobenzoyl)-1,2,4-triazol-3-one Traditional Name: 2-(2,4-dichlorophenyl)-5-methyl-4-(2-nitrobenzoyl)-1,2,4-triazol-3-one Formula: C16H10Cl2N4O4 MolecularWeight: 393.181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C(=O)C2=CC=CC=C2[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)N1C(=O)C2=CC=CC=C2[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H10Cl2N4O4/c1-9-19-21(14-7-6-10(17)8-12(14)18)16(24)20(9)15(23)11-4-2-3-5-13(11)22(25)26/h2-8H,1H3