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

Systemtic Name: (3-nitrophenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (3-nitrophenyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (3-nitrophenyl) ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO4/c18-17-8-11-4-12(9-17)7-16(6-11,10-17)15(20)23-14-3-1-2-13(5-14)19(21)22/h1-3,5,11-12H,4,6-10H2/t11-,12+,16?,17?