4-(4-chloranyl-2-nitro-phenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-(4-chloro-2-nitro-benzoyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[(4-chloro-2-nitrophenyl)-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-(4-chloro-2-nitrobenzoyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-(4-chloro-2-nitro-benzoyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C12H10ClN3O4 MolecularWeight: 295.6785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O4/c1-6-10(12(18)15(2)14-6)11(17)8-4-3-7(13)5-9(8)16(19)20/h3-5,14H,1-2H3