[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c24-19(22-13-21-8-14-5-15(9-21)7-16(6-14)10-21)11-29-20(25)12-28-18-3-1-17(2-4-18)23(26)27/h1-4,14-16H,5-13H2,(H,22,24)