(4-nitrophenyl) 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (4-nitrophenyl) 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-nitrophenyl) 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-nitrophenyl) ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20BrNO4/c19-18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(21)24-15-3-1-14(2-4-15)20(22)23/h1-4,12-13H,5-11H2