4-bromanyl-N'-[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[6-(2-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[6-(tert-butylhydrazo)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[6-(N'-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C15H18BrN7O3 MolecularWeight: 424.25252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrN7O3/c1-15(2,3)22-20-13-11(23(25)26)12(17-8-18-13)19-21-14(24)9-4-6-10(16)7-5-9/h4-8,22H,1-3H3,(H,21,24)(H2,17,18,19,20)