N-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[(4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C14H10ClFN6O3 MolecularWeight: 364.719003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=NN(C=C2)CN3C=C(C=N3)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=NN(C=C2)CN3C=C(C=N3)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C14H10ClFN6O3/c15-11-5-9(1-2-12(11)16)18-14(23)13-3-4-20(19-13)8-21-7-10(6-17-21)22(24)25/h1-7H,8H2,(H,18,23)