2-bromanyl-N'-[5-nitro-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2-bromanyl-N'-[5-nitro-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]benzohydrazide Openeye Name: 2-bromo-N'-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzohydrazide CAS Name: 2-bromo-N'-[5-nitro-6-[4-(trifluoromethyl)anilino]-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-bromo-N'-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzohydrazide Traditional Name: 2-bromo-N'-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzohydrazide Formula: C18H12BrF3N6O3 MolecularWeight: 497.22549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F)Br

InChI

InChI=1S/C18H12BrF3N6O3/c19-13-4-2-1-3-12(13)17(29)27-26-16-14(28(30)31)15(23-9-24-16)25-11-7-5-10(6-8-11)18(20,21)22/h1-9H,(H,27,29)(H2,23,24,25,26)