(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-(2,4-dinitrophenyl)methanone

Systemtic Name: (4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-(2,4-dinitrophenyl)methanone Openeye Name: (4-chloro-3,5-dimethyl-pyrazol-1-yl)-(2,4-dinitrophenyl)methanone CAS Name: (4-chloro-3,5-dimethyl-1-pyrazolyl)-(2,4-dinitrophenyl)methanone IUPAC Name: (4-chloro-3,5-dimethylpyrazol-1-yl)-(2,4-dinitrophenyl)methanone Traditional Name: (4-chloro-3,5-dimethyl-pyrazol-1-yl)-(2,4-dinitrophenyl)methanone Formula: C12H9ClN4O5 MolecularWeight: 324.67666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)Cl

InChI

InChI=1S/C12H9ClN4O5/c1-6-11(13)7(2)15(14-6)12(18)9-4-3-8(16(19)20)5-10(9)17(21)22/h3-5H,1-2H3