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

Systemtic Name: N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Openeye Name: 2-nitro-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-2-nitrobenzohydrazide IUPAC Name: N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide Traditional Name: 2-nitro-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzohydrazide Formula: C15H17N7O5 MolecularWeight: 375.33938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7O5/c1-3-9(2)18-13-12(22(26)27)14(17-8-16-13)19-20-15(23)10-6-4-5-7-11(10)21(24)25/h4-9H,3H2,1-2H3,(H,20,23)(H2,16,17,18,19)