[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6/c23-18(21-20-8-13-5-14(9-20)7-15(6-13)10-20)11-28-19(24)12-27-17-4-2-1-3-16(17)22(25)26/h1-4,13-15H,5-12H2,(H,21,23)