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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-methylpentanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-8(2)4-5-12(16)17-7-11(15)10(6-13)9(3)14/h8,10,14H,4-5,7H2,1-3H3/t10-/m1/s1