[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5/c1-13(28-19(24)9-17-4-2-3-5-18(17)23(26)27)20(25)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,13-16H,6-12H2,1H3,(H,22,25)/t13-,14?,15?,16?,21?/m1/s1