1-(1-adamantyl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one Openeye Name: 1-(1-adamantyl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one CAS Name: 1-(1-adamantyl)-2-(2-methoxy-5-nitrophenoxy)-1-propanone IUPAC Name: 1-(1-adamantyl)-2-(2-methoxy-5-nitrophenoxy)propan-1-one Traditional Name: 1-(1-adamantyl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25NO5/c1-12(26-18-8-16(21(23)24)3-4-17(18)25-2)19(22)20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,12-15H,5-7,9-11H2,1-2H3