4-bromanyl-N'-[5-nitro-6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[5-nitro-6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[5-nitro-6-[3-(trifluoromethyl)anilino]-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]benzohydrazide Formula: C18H12BrF3N6O3 MolecularWeight: 497.22549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-])C(F)(F)F

InChI

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