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

Systemtic Name: (4-nitrophenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H20ClNO4 MolecularWeight: 349.8087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClNO4/c19-18-8-13-5-14(9-18)7-17(6-13,11-18)16(21)24-10-12-1-3-15(4-2-12)20(22)23/h1-4,13-14H,5-11H2/t13-,14+,17?,18?