[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] butanoate CAS Name: butanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] butanoate Traditional Name: butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C10H14N2O3 MolecularWeight: 210.22976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C10H14N2O3/c1-3-4-10(14)15-6-9(13)8(5-11)7(2)12/h8,12H,3-4,6H2,1-2H3/t8-/m1/s1