ethyl (2R,4S)-3-azanylidene-2-cyano-4-methyl-5-oxidanylidene-5-(pyridin-2-ylamino)pentanoate

Systemtic Name: ethyl (2R,4S)-3-azanylidene-2-cyano-4-methyl-5-oxidanylidene-5-(pyridin-2-ylamino)pentanoate Openeye Name: ethyl (2R,4S)-2-cyano-3-imino-4-methyl-5-oxo-5-(2-pyridylamino)pentanoate CAS Name: (2R,4S)-2-cyano-3-imino-4-methyl-5-oxo-5-(2-pyridinylamino)pentanoic acid ethyl ester IUPAC Name: ethyl (2R,4S)-2-cyano-3-imino-4-methyl-5-oxo-5-(pyridin-2-ylamino)pentanoate Traditional Name: (2R,4S)-2-cyano-3-imino-5-keto-4-methyl-5-(2-pyridylamino)valeric acid ethyl ester Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=N)C(C)C(=O)NC1=CC=CC=N1

Isomeric SMILES

CCOC(=O)[C@@H](C#N)C(=N)[C@H](C)C(=O)NC1=CC=CC=N1

InChI

InChI=1S/C14H16N4O3/c1-3-21-14(20)10(8-15)12(16)9(2)13(19)18-11-6-4-5-7-17-11/h4-7,9-10,16H,3H2,1-2H3,(H,17,18,19)/t9-,10-/m0/s1