N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C13H9ClFN7O3 MolecularWeight: 365.707063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN2C=NC(=N2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=NC(=N2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])F

InChI

InChI=1S/C13H9ClFN7O3/c14-8-2-1-3-9(15)7(8)5-21-6-16-13(20-21)17-12(23)10-4-11(19-18-10)22(24)25/h1-4,6H,5H2,(H,18,19)(H,17,20,23)