1-(1-adamantyl)-2-(2-chloranyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(2-chloranyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(1-adamantyl)-2-(2-chloro-4-nitro-phenoxy)ethanone CAS Name: 1-(1-adamantyl)-2-(2-chloro-4-nitrophenoxy)ethanone IUPAC Name: 1-(1-adamantyl)-2-(2-chloro-4-nitrophenoxy)ethanone Traditional Name: 1-(1-adamantyl)-2-(2-chloro-4-nitro-phenoxy)ethanone Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4/c19-15-6-14(20(22)23)1-2-16(15)24-10-17(21)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2