methyl (2R)-2-[[(2S)-2-cyano-3-ethoxy-3-oxidanylidene-propylidene]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[(2S)-2-cyano-3-ethoxy-3-oxidanylidene-propylidene]amino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[(2S)-2-cyano-3-ethoxy-3-oxo-propylidene]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[(2S)-2-cyano-3-ethoxy-3-oxopropylidene]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-2-cyano-3-ethoxy-3-oxopropylidene]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[(2S)-2-cyano-3-ethoxy-3-keto-propylidene]amino]-4-methyl-valeric acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(CC(C)C)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=N[C@H](CC(C)C)C(=O)OC)C#N

InChI

InChI=1S/C13H20N2O4/c1-5-19-12(16)10(7-14)8-15-11(6-9(2)3)13(17)18-4/h8-11H,5-6H2,1-4H3/t10-,11-/m1/s1