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

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

Systemtic Name:4-[(E)-[2-(4-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoic acid
Openeye Name:4-[(E)-[2-(4-bromophenyl)-5-oxo-oxazol-4-ylidene]methyl]benzoic acid
CAS Name:4-[(E)-[2-(4-bromophenyl)-5-oxo-4-oxazolylidene]methyl]benzoic acid
IUPAC Name:4-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
Traditional Name:4-[(E)-[2-(4-bromophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoic acid
Formula: C17H10BrNO4
MolecularWeight: 372.1696
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)Br)C(=O)O


InChI

InChI=1S/C17H10BrNO4/c18-13-7-5-11(6-8-13)15-19-14(17(22)23-15)9-10-1-3-12(4-2-10)16(20)21/h1-9H,(H,20,21)/b14-9+


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