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1-(1-adamantyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

1-(1-adamantyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

Systemtic Name:1-(1-adamantyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone
Openeye Name:1-(1-adamantyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone
CAS Name:1-(1-adamantyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
IUPAC Name:1-(1-adamantyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
Traditional Name:1-(1-adamantyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone
Formula: C25H27NO5
MolecularWeight: 421.48558
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C25H27NO5/c1-30-21-5-2-19(3-6-21)22-11-20(26(28)29)4-7-23(22)31-15-24(27)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18H,8-10,12-15H2,1H3


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