1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(4-fluorobenzyl)pyrazole-3-carboxamide Formula: C18H14ClFN4O4 MolecularWeight: 404.779563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C18H14ClFN4O4/c19-15-9-14(24(26)27)5-6-17(15)28-11-23-8-7-16(22-23)18(25)21-10-12-1-3-13(20)4-2-12/h1-9H,10-11H2,(H,21,25)