ethyl (3E)-3-(4-methylphenyl)-3-[3-(4-methylphenyl)-5-oxidanylidene-1,2-oxazol-4-ylidene]propanoate

Systemtic Name: ethyl (3E)-3-(4-methylphenyl)-3-[3-(4-methylphenyl)-5-oxidanylidene-1,2-oxazol-4-ylidene]propanoate Openeye Name: ethyl (3E)-3-[5-oxo-3-(p-tolyl)isoxazol-4-ylidene]-3-(p-tolyl)propanoate CAS Name: (3E)-3-(4-methylphenyl)-3-[3-(4-methylphenyl)-5-oxo-4-isoxazolylidene]propanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-(4-methylphenyl)-3-[3-(4-methylphenyl)-5-oxo-1,2-oxazol-4-ylidene]propanoate Traditional Name: (3E)-3-[5-keto-3-(p-tolyl)-2-isoxazolin-4-ylidene]-3-(p-tolyl)propionic acid ethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C1C(=NOC1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C/C(=C\1/C(=NOC1=O)C2=CC=C(C=C2)C)/C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO4/c1-4-26-19(24)13-18(16-9-5-14(2)6-10-16)20-21(23-27-22(20)25)17-11-7-15(3)8-12-17/h5-12H,4,13H2,1-3H3/b20-18+