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

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[4-(difluoromethoxy)-3-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[4-(difluoromethoxy)-3-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H9BrF2N4O5 MolecularWeight: 407.124466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OC(F)F

InChI

InChI=1S/C12H9BrF2N4O5/c1-23-7-4-5(2-3-6(7)24-12(14)15)16-11(20)9-8(13)10(18-17-9)19(21)22/h2-4,12H,1H3,(H,16,20)(H,17,18)