2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]ethanoate Openeye Name: 2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetate CAS Name: 2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetate IUPAC Name: 2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetate Traditional Name: 2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetate Formula: C18H20NO4- MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c20-16(21)10-17-6-12-5-13(7-17)9-18(8-12,11-17)14-1-3-15(4-2-14)19(22)23/h1-4,12-13H,5-11H2,(H,20,21)/p-1/t12-,13+,17?,18?