(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CC2=C(C=CC(=C2)Cl)OC1

InChI

InChI=1S/C16H15ClN2O4/c1-9(19)13(6-18)14(20)8-23-16(21)11-4-10-5-12(17)2-3-15(10)22-7-11/h2-3,5,11,13,19H,4,7-8H2,1H3/t11-,13?/m0/s1