2-[(2Z)-2-[(2E)-2-(3-cyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]ethyl ethanoate

Systemtic Name: 2-[(2Z)-2-[(2E)-2-(3-cyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]ethyl ethanoate Openeye Name: 2-[(2Z)-2-[(2E)-2-(3-cyano-5-oxo-1-phenyl-pyrazol-4-ylidene)ethylidene]-4,4-dimethyl-oxazolidin-3-yl]ethyl acetate CAS Name: acetic acid 2-[(2Z)-2-[(2E)-2-(3-cyano-5-oxo-1-phenyl-4-pyrazolylidene)ethylidene]-4,4-dimethyl-3-oxazolidinyl]ethyl ester IUPAC Name: 2-[(2Z)-2-[(2E)-2-(3-cyano-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]ethyl acetate Traditional Name: acetic acid 2-[(2Z)-2-[(2E)-2-(3-cyano-5-keto-1-phenyl-2-pyrazolin-4-ylidene)ethylidene]-4,4-dimethyl-oxazolidin-3-yl]ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=CC=C2C(=NN(C2=O)C3=CC=CC=C3)C#N)OCC1(C)C

Isomeric SMILES

CC(=O)OCCN1/C(=C/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C#N)/OCC1(C)C

InChI

InChI=1S/C21H22N4O4/c1-15(26)28-12-11-24-19(29-14-21(24,2)3)10-9-17-18(13-22)23-25(20(17)27)16-7-5-4-6-8-16/h4-10H,11-12,14H2,1-3H3/b17-9+,19-10-