1-(1-adamantyl)-2-(2-nitropyridin-3-yl)oxy-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-(1-adamantyl)-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-(1-adamantyl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-(1-adamantyl)-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(1-adamantyl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=C(N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=C(N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4/c20-15(10-23-14-2-1-3-18-16(14)19(21)22)17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2