N-[4-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[4-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C15H9BrF2N6O4 MolecularWeight: 455.170566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)OC(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)OC(F)F

InChI

InChI=1S/C15H9BrF2N6O4/c16-10-11(22-23-12(10)24(26)27)13(25)21-15-19-6-5-9(20-15)7-1-3-8(4-2-7)28-14(17)18/h1-6,14H,(H,22,23)(H,19,20,21,25)