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

Systemtic Name: methyl 3-methyl-5,7-bis[2,2,2-tris(bromanyl)ethanoylamino]adamantane-1-carboxylate Openeye Name: methyl 3-methyl-5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylate CAS Name: 3-methyl-5,7-bis[(2,2,2-tribromo-1-oxoethyl)amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylate Traditional Name: 3-methyl-5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylic acid methyl ester Formula: C17H20Br6N2O4 MolecularWeight: 795.7757

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br)C(=O)OC

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br)C(=O)OC

InChI

InChI=1S/C17H20Br6N2O4/c1-12-3-13(11(28)29-2)6-14(4-12,24-9(26)16(18,19)20)8-15(5-12,7-13)25-10(27)17(21,22)23/h3-8H2,1-2H3,(H,24,26)(H,25,27)