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

Systemtic Name: (3-nitrophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (3-nitrophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (3-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(24-10-12-2-1-3-15(5-12)19(22)23)17-6-13-4-14(7-17)9-18(21,8-13)11-17/h1-3,5,13-14,21H,4,6-11H2/t13-,14+,17?,18?