O3-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(1-adamantyl)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[1-(1-adamantyl)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-12(19(24)22-9-13-3-14(10-22)5-15(4-13)11-22)30-21(26)17-6-16(20(25)29-2)7-18(8-17)23(27)28/h6-8,12-15H,3-5,9-11H2,1-2H3