N-(1-adamantyl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C16H22N4O3/c1-9-13(20(22)23)14(19(2)18-9)15(21)17-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-8H2,1-2H3,(H,17,21)