N-(4-bromanyl-2-fluoranyl-phenyl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C17H11BrF2N4O4 MolecularWeight: 453.194446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrF2N4O4/c18-10-1-3-13(12(20)7-10)21-17(25)14-5-6-23(22-14)9-28-16-8-11(19)2-4-15(16)24(26)27/h1-8H,9H2,(H,21,25)