[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,5-dimethylfuran-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C13H14N2O4/c1-7-4-10(9(3)19-7)13(17)18-6-12(16)11(5-14)8(2)15/h4,11,15H,6H2,1-3H3/t11-/m1/s1