(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C17H21BrN2O3/c1-10(20)13(7-19)14(21)8-23-15(22)16-3-11-2-12(4-16)6-17(18,5-11)9-16/h11-13,20H,2-6,8-9H2,1H3/t11-,12-,13?,16?,17?/m0/s1