ethyl (2S)-3,3-dicyano-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]butanoate

Systemtic Name: ethyl (2S)-3,3-dicyano-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]butanoate Openeye Name: ethyl (2S)-3,3-dicyano-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]butanoate CAS Name: (2S)-3,3-dicyano-2-[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3,3-dicyano-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]butanoate Traditional Name: (2S)-3,3-dicyano-2-[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]butyric acid ethyl ester Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)N1C(=CC(=N1)C)C)C(C)(C#N)C#N

Isomeric SMILES

CCOC(=O)[C@@H](CC(=O)N1C(=CC(=N1)C)C)C(C)(C#N)C#N

InChI

InChI=1S/C15H18N4O3/c1-5-22-14(21)12(15(4,8-16)9-17)7-13(20)19-11(3)6-10(2)18-19/h6,12H,5,7H2,1-4H3/t12-/m1/s1