[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h11-12H,2-6,8-9,20H2,1H3/b13-10+