N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

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