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

Systemtic Name: methyl 3,5-bis[2,2,2-tris(bromanyl)ethanoylamino]adamantane-1-carboxylate Openeye Name: methyl 3,5-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylate CAS Name: 3,5-bis[(2,2,2-tribromo-1-oxoethyl)amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3,5-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylate Traditional Name: 3,5-bis[(2,2,2-tribromoacetyl)amino]adamantane-1-carboxylic acid methyl ester Formula: C16H18Br6N2O4 MolecularWeight: 781.74912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)(CC(C3)(C2)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br

Isomeric SMILES

COC(=O)C12CC3CC(C1)(CC(C3)(C2)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br

InChI

InChI=1S/C16H18Br6N2O4/c1-28-11(27)12-2-8-3-13(5-12,23-9(25)15(17,18)19)7-14(4-8,6-12)24-10(26)16(20,21)22/h8H,2-7H2,1H3,(H,23,25)(H,24,26)