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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-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-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-11(21)15(8-20)16(24)9-26-17(25)18-4-13-3-14(5-18)7-19(6-13,10-18)22-12(2)23/h13-14H,3-7,9-10,21H2,1-2H3,(H,22,23)/b15-11+