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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C17H12BrFN4O4 MolecularWeight: 435.203983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN4O4/c18-11-5-6-13(12(19)9-11)20-17(24)14-7-8-22(21-14)10-27-16-4-2-1-3-15(16)23(25)26/h1-9H,10H2,(H,20,24)