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

Systemtic Name: O3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C23H27N3O8 MolecularWeight: 473.47578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O8/c1-2-33-20(28)16-6-17(8-18(7-16)26(31)32)21(29)34-12-19(27)24-22(30)25-23-9-13-3-14(10-23)5-15(4-13)11-23/h6-8,13-15H,2-5,9-12H2,1H3,(H2,24,25,27,30)