4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]butanoyl chloride

Systemtic Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]butanoyl chloride Openeye Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]butanoyl chloride CAS Name: 4-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]butanoyl chloride IUPAC Name: 4-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]butanoyl chloride Traditional Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]butyryl chloride Formula: C18H23ClN4O4 MolecularWeight: 394.85262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCCC(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCCC(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN4O4/c19-15(24)2-1-3-20-17(25)16-14(23(26)27)10-22(21-16)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,1-9H2,(H,20,25)