(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCC=CC1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CCC=CC1

InChI

InChI=1S/C13H16N2O3/c1-9(15)11(7-14)12(16)8-18-13(17)10-5-3-2-4-6-10/h2-3,10-11,15H,4-6,8H2,1H3/t10-,11?/m1/s1