(phenylmethyl) N-[3,5-dimethyl-7-(nitrooxymethyl)-1-adamantyl]carbamate

Systemtic Name: (phenylmethyl) N-[3,5-dimethyl-7-(nitrooxymethyl)-1-adamantyl]carbamate Openeye Name: benzyl N-[3,5-dimethyl-7-(nitrooxymethyl)-1-adamantyl]carbamate CAS Name: N-[3,5-dimethyl-7-(nitrooxymethyl)-1-adamantyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3,5-dimethyl-7-(nitrooxymethyl)-1-adamantyl]carbamate Traditional Name: N-[3,5-dimethyl-7-(nitrooxymethyl)-1-adamantyl]carbamic acid benzyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)OCC4=CC=CC=C4)CO[N+](=O)[O-])C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)OCC4=CC=CC=C4)CO[N+](=O)[O-])C

InChI

InChI=1S/C21H28N2O5/c1-18-9-19(2)11-20(10-18,15-28-23(25)26)14-21(12-18,13-19)22-17(24)27-8-16-6-4-3-5-7-16/h3-7H,8-15H2,1-2H3,(H,22,24)