N-(2-adamantyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3/c1-2-19-8-13(20(22)23)15(18-19)16(21)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h8-12,14H,2-7H2,1H3,(H,17,21)