1-(1-adamantyl)-2-(2,4-dimethyl-6-nitro-phenoxy)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(2,4-dimethyl-6-nitro-phenoxy)ethanone Openeye Name: 1-(1-adamantyl)-2-(2,4-dimethyl-6-nitro-phenoxy)ethanone CAS Name: 1-(1-adamantyl)-2-(2,4-dimethyl-6-nitrophenoxy)ethanone IUPAC Name: 1-(1-adamantyl)-2-(2,4-dimethyl-6-nitrophenoxy)ethanone Traditional Name: 1-(1-adamantyl)-2-(2,4-dimethyl-6-nitro-phenoxy)ethanone Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])OCC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H25NO4/c1-12-3-13(2)19(17(4-12)21(23)24)25-11-18(22)20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16H,5-11H2,1-2H3