O3-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1-adamantylmethylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-adamantylmethylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(1-adamantylmethylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-adamantylmethylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H26N2O7/c1-30-20(26)16-5-17(7-18(6-16)24(28)29)21(27)31-11-19(25)23-12-22-8-13-2-14(9-22)4-15(3-13)10-22/h5-7,13-15H,2-4,8-12H2,1H3,(H,23,25)