N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C21H22ClN7O5 MolecularWeight: 487.89628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NNC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NNC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN7O5/c22-15-2-1-14(6-16(15)28(31)32)20(30)27-26-19-17(29(33)34)18(23-10-24-19)25-21-7-11-3-12(8-21)5-13(4-11)9-21/h1-2,6,10-13H,3-5,7-9H2,(H,27,30)(H2,23,24,25,26)