ethyl (2R,3S)-2-cyano-3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl (2R,3S)-2-cyano-3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-3-pyridin-3-yl-propanoate Openeye Name: ethyl (2R,3S)-2-cyano-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(3-pyridyl)propanoate CAS Name: (2R,3S)-2-cyano-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-cyano-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate Traditional Name: (2R,3S)-2-cyano-3-(3-keto-5-methyl-3-pyrazolin-4-yl)-3-(3-pyridyl)propionic acid ethyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CN=CC=C1)C2=C(NNC2=O)C

Isomeric SMILES

CCOC(=O)[C@@H](C#N)[C@@H](C1=CN=CC=C1)C2=C(NNC2=O)C

InChI

InChI=1S/C15H16N4O3/c1-3-22-15(21)11(7-16)13(10-5-4-6-17-8-10)12-9(2)18-19-14(12)20/h4-6,8,11,13H,3H2,1-2H3,(H2,18,19,20)/t11-,13+/m0/s1