2-[2,4-bis(chloranyl)-5-nitro-phenyl]-4-ethanoyl-5,5-dimethyl-1,2,4-triazolidin-3-one

Systemtic Name: 2-[2,4-bis(chloranyl)-5-nitro-phenyl]-4-ethanoyl-5,5-dimethyl-1,2,4-triazolidin-3-one Openeye Name: 4-acetyl-2-(2,4-dichloro-5-nitro-phenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one CAS Name: 4-acetyl-2-(2,4-dichloro-5-nitrophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one IUPAC Name: 4-acetyl-2-(2,4-dichloro-5-nitrophenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one Traditional Name: 4-acetyl-2-(2,4-dichloro-5-nitro-phenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one Formula: C12H12Cl2N4O4 MolecularWeight: 347.15408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)N(NC1(C)C)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(=O)N(NC1(C)C)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H12Cl2N4O4/c1-6(19)16-11(20)17(15-12(16,2)3)9-5-10(18(21)22)8(14)4-7(9)13/h4-5,15H,1-3H3