methyl 2-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-3-(2,4,5-trimethylpyrazol-3-yl)propanoate

Systemtic Name: methyl 2-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-3-(2,4,5-trimethylpyrazol-3-yl)propanoate Openeye Name: methyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-(2,4,5-trimethylpyrazol-3-yl)propanoate CAS Name: 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-(2,4,5-trimethyl-3-pyrazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-(2,4,5-trimethylpyrazol-3-yl)propanoate Traditional Name: 2-(4-tert-butylphenyl)-2-cyano-3-keto-3-(2,4,5-trimethylpyrazol-3-yl)propionic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C)C(=O)C(C#N)(C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(N(N=C1C)C)C(=O)C(C#N)(C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C21H25N3O3/c1-13-14(2)23-24(6)17(13)18(25)21(12-22,19(26)27-7)16-10-8-15(9-11-16)20(3,4)5/h8-11H,1-7H3