N-(1-adamantylmethyl)-1-methyl-4-nitro-pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

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