4-[(Z)-[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate

Systemtic Name: 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate Openeye Name: 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-oxazol-4-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-4-oxazolylidene]methyl]benzoate IUPAC Name: 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[2-(4-tert-butylphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoate Formula: C21H18NO4- MolecularWeight: 348.37192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)C(=O)[O-])C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)C(=O)[O-])/C(=O)O2

InChI

InChI=1S/C21H19NO4/c1-21(2,3)16-10-8-14(9-11-16)18-22-17(20(25)26-18)12-13-4-6-15(7-5-13)19(23)24/h4-12H,1-3H3,(H,23,24)/p-1/b17-12-