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

Systemtic Name: (2-nitrophenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (2-nitrophenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (2-nitrobenzyl) ester Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4/c19-18-8-12-5-13(9-18)7-17(6-12,11-18)16(21)24-10-14-3-1-2-4-15(14)20(22)23/h1-4,12-13H,5-11H2/t12-,13+,17?,18?