methyl 3-acetyloxy-5,7-bis[2,2,2-tris(bromanyl)ethanoylamino]adamantane-1-carboxylate

Systemtic Name: methyl 3-acetyloxy-5,7-bis[2,2,2-tris(bromanyl)ethanoylamino]adamantane-1-carboxylate Openeye Name: methyl 3-acetoxy-5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylate CAS Name: 3-acetyloxy-5,7-bis[(2,2,2-tribromo-1-oxoethyl)amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-acetyloxy-5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylate Traditional Name: 3-acetoxy-5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylic acid methyl ester Formula: C18H20Br6N2O6 MolecularWeight: 839.7852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3(CC(C1)(CC(C3)(C2)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br)C(=O)OC

Isomeric SMILES

CC(=O)OC12CC3(CC(C1)(CC(C3)(C2)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br)C(=O)OC

InChI

InChI=1S/C18H20Br6N2O6/c1-9(27)32-16-5-13(12(30)31-2)3-14(7-16,25-10(28)17(19,20)21)6-15(4-13,8-16)26-11(29)18(22,23)24/h3-8H2,1-2H3,(H,25,28)(H,26,29)