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

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)-1,2,4-triazol-3-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C14H11ClFN7O3 MolecularWeight: 379.733643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClFN7O3/c1-21-6-11(23(25)26)12(19-21)13(24)18-14-17-7-22(20-14)5-8-2-3-9(16)4-10(8)15/h2-4,6-7H,5H2,1H3,(H,18,20,24)