N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide

Systemtic Name: N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide Openeye Name: 2-(4-nitrophenyl)-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]acetohydrazide CAS Name: N'-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)acetohydrazide IUPAC Name: N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Traditional Name: 2-(4-nitrophenyl)-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]acetohydrazide Formula: C16H19N7O5 MolecularWeight: 389.36596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O5/c1-3-10(2)19-15-14(23(27)28)16(18-9-17-15)21-20-13(24)8-11-4-6-12(7-5-11)22(25)26/h4-7,9-10H,3,8H2,1-2H3,(H,20,24)(H2,17,18,19,21)