N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H16ClFN6O4 MolecularWeight: 470.840943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClFN6O4/c22-16-12-28(11-14-4-2-1-3-5-14)26-20(16)24-21(30)17-8-9-27(25-17)13-33-19-10-15(23)6-7-18(19)29(31)32/h1-10,12H,11,13H2,(H,24,26,30)