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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] adamantane-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-10(19)14(8-18)15(20)9-22-16(21)17-5-11-2-12(6-17)4-13(3-11)7-17/h11-13H,2-7,9,19H2,1H3/b14-10+