(4-nitrophenyl) 3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-nitrophenyl) 3-chloranyladamantane-1-carboxylate Openeye Name: (4-nitrophenyl) 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (4-nitrophenyl) ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO4/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