(2-nitrophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (2-nitrophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (2-nitrophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-nitrobenzyl) ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5/c20-16(24-10-14-3-1-2-4-15(14)19(22)23)17-6-12-5-13(7-17)9-18(21,8-12)11-17/h1-4,12-13,21H,5-11H2/t12-,13+,17?,18?