[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C14H13FN2O3 MolecularWeight: 276.263023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C)F

InChI

InChI=1S/C14H13FN2O3/c1-8-3-4-10(5-12(8)15)14(19)20-7-13(18)11(6-16)9(2)17/h3-5,11,17H,7H2,1-2H3/t11-/m1/s1