(5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-nitrophenyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate Formula: C17H18NO4- MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)/p-1/t11-,12+,16?,17?