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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H19FN2O3 MolecularWeight: 330.353463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1(CCCC1)C2=CC(=CC=C2)F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1(CCCC1)C2=CC(=CC=C2)F)/N

InChI

InChI=1S/C18H19FN2O3/c1-12(21)15(10-20)16(22)11-24-17(23)18(7-2-3-8-18)13-5-4-6-14(19)9-13/h4-6,9H,2-3,7-8,11,21H2,1H3/b15-12+