N-[3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]ethanamide

Systemtic Name: N-[3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]ethanamide Openeye Name: N-[3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]acetamide CAS Name: N-[3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]acetamide IUPAC Name: N-[3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]acetamide Traditional Name: N-[3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]acetamide Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)N4C(=NC(=N4)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)N4C(=NC(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C14H18BrN5O3/c1-8(21)17-13-3-9-2-10(4-13)6-14(5-9,7-13)19-11(15)16-12(18-19)20(22)23/h9-10H,2-7H2,1H3,(H,17,21)