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

Systemtic Name: N-(1-adamantylmethyl)-2-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-2-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H24N4O3/c1-2-20-15(14(9-19-20)21(23)24)16(22)18-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h9,11-13H,2-8,10H2,1H3,(H,18,22)