(4-nitrophenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-nitrophenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-nitrophenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-nitrophenyl) ester Formula: C17H18BrNO4 MolecularWeight: 380.23312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18BrNO4/c18-17-8-11-5-12(9-17)7-16(6-11,10-17)15(20)23-14-3-1-13(2-4-14)19(21)22/h1-4,11-12H,5-10H2/t11-,12+,16?,17?