4-[[2-(3-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoic acid Openeye Name: 4-[[2-(3-chlorophenyl)-5-oxo-oxazol-4-ylidene]methyl]benzoic acid CAS Name: 4-[[2-(3-chlorophenyl)-5-oxo-4-oxazolylidene]methyl]benzoic acid IUPAC Name: 4-[[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid Traditional Name: 4-[[2-(3-chlorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoic acid Formula: C17H10ClNO4 MolecularWeight: 327.7186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC(=CC3=CC=C(C=C3)C(=O)O)C(=O)O2

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC(=CC3=CC=C(C=C3)C(=O)O)C(=O)O2

InChI

InChI=1S/C17H10ClNO4/c18-13-3-1-2-12(9-13)15-19-14(17(22)23-15)8-10-4-6-11(7-5-10)16(20)21/h1-9H,(H,20,21)