N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H14ClFN6O3 MolecularWeight: 392.772163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClFN6O3/c1-8-15(19-16(25)13-6-14(21-20-13)24(26)27)9(2)23(22-8)7-10-3-4-11(18)5-12(10)17/h3-6H,7H2,1-2H3,(H,19,25)(H,20,21)