(3R,5S)-4-methoxy-1-(4-nitrophenyl)adamantane

Systemtic Name: (3R,5S)-4-methoxy-1-(4-nitrophenyl)adamantane Openeye Name: (3R,5S)-4-methoxy-1-(4-nitrophenyl)adamantane CAS Name: (3R,5S)-4-methoxy-1-(4-nitrophenyl)adamantane IUPAC Name: (3R,5S)-4-methoxy-1-(4-nitrophenyl)adamantane Traditional Name: (3R,5S)-4-methoxy-1-(4-nitrophenyl)adamantane Formula: C17H21NO3 MolecularWeight: 287.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C2CC3CC1CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1[C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H21NO3/c1-21-16-12-6-11-7-13(16)10-17(8-11,9-12)14-2-4-15(5-3-14)18(19)20/h2-5,11-13,16H,6-10H2,1H3/t11?,12-,13+,16?,17?