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

Systemtic Name: N'-[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-(2-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(tert-butylhydrazo)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-(N'-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C16H21N7O4 MolecularWeight: 375.38244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NNC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C16H21N7O4/c1-16(2,3)22-21-15-13(23(25)26)14(17-10-18-15)20-19-12(24)9-27-11-7-5-4-6-8-11/h4-8,10,22H,9H2,1-3H3,(H,19,24)(H2,17,18,20,21)