4-chloranyl-4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-one

Systemtic Name: 4-chloranyl-4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-one Openeye Name: 4-chloro-4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-one CAS Name: 4-chloro-4-[(2-chloro-4-nitrophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolone IUPAC Name: 4-chloro-4-(2-chloro-4-nitrobenzoyl)-2,5-dimethylpyrazol-3-one Traditional Name: 4-chloro-4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-2-pyrazolin-3-one Formula: C12H9Cl2N3O4 MolecularWeight: 330.12356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)C

Isomeric SMILES

CC1=NN(C(=O)C1(C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)C

InChI

InChI=1S/C12H9Cl2N3O4/c1-6-12(14,11(19)16(2)15-6)10(18)8-4-3-7(17(20)21)5-9(8)13/h3-5H,1-2H3