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

Systemtic Name: (5S,7R)-1-bromanyl-3-(4-nitrophenyl)adamantane Openeye Name: (5S,7R)-1-bromo-3-(4-nitrophenyl)adamantane CAS Name: (5S,7R)-1-bromo-3-(4-nitrophenyl)adamantane IUPAC Name: (5S,7R)-1-bromo-3-(4-nitrophenyl)adamantane Traditional Name: (5S,7R)-1-bromo-3-(4-nitrophenyl)adamantane Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO2/c17-16-8-11-5-12(9-16)7-15(6-11,10-16)13-1-3-14(4-2-13)18(19)20/h1-4,11-12H,5-10H2/t11-,12+,15?,16?