N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-[(4-fluoranylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-[(4-fluoranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-1-[(4-fluorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide Formula: C17H11Br2FN4O4 MolecularWeight: 514.100043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC(=CC=C1OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br)F

InChI

InChI=1S/C17H11Br2FN4O4/c18-13-7-11(24(26)27)8-14(19)16(13)21-17(25)15-5-6-23(22-15)9-28-12-3-1-10(20)2-4-12/h1-8H,9H2,(H,21,25)