1-[(4-chloranyl-3-nitro-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-(4-chloro-3-nitro-benzyl)-3,5-dimethyl-4-nitro-pyrazole Formula: C12H11ClN4O4 MolecularWeight: 310.69314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN4O4/c1-7-12(17(20)21)8(2)15(14-7)6-9-3-4-10(13)11(5-9)16(18)19/h3-5H,6H2,1-2H3