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

Systemtic Name: 4-chloranyl-2,5-dimethyl-4-(5-methyl-2-nitro-phenyl)carbonyl-pyrazol-3-one Openeye Name: 4-chloro-2,5-dimethyl-4-(5-methyl-2-nitro-benzoyl)pyrazol-3-one CAS Name: 4-chloro-2,5-dimethyl-4-[(5-methyl-2-nitrophenyl)-oxomethyl]-3-pyrazolone IUPAC Name: 4-chloro-2,5-dimethyl-4-(5-methyl-2-nitrobenzoyl)pyrazol-3-one Traditional Name: 4-chloro-2,5-dimethyl-4-(5-methyl-2-nitro-benzoyl)-2-pyrazolin-3-one Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4/c1-7-4-5-10(17(20)21)9(6-7)11(18)13(14)8(2)15-16(3)12(13)19/h4-6H,1-3H3