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

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-oxazol-4-ylidene]methyl]benzoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4-oxazolylidene]methyl]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoic acid Formula: C18H11NO6 MolecularWeight: 337.28304

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=CC4=CC=C(C=C4)C(=O)O)C(=O)O3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=CC4=CC=C(C=C4)C(=O)O)C(=O)O3

InChI

InChI=1S/C18H11NO6/c20-17(21)11-3-1-10(2-4-11)7-13-18(22)25-16(19-13)12-5-6-14-15(8-12)24-9-23-14/h1-8H,9H2,(H,20,21)