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

Systemtic Name: 4-[[2-(2-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methylamino]benzoic acid Openeye Name: 4-[[2-(2-bromophenyl)-5-oxo-oxazol-4-ylidene]methylamino]benzoic acid CAS Name: 4-[[2-(2-bromophenyl)-5-oxo-4-oxazolylidene]methylamino]benzoic acid IUPAC Name: 4-[[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methylamino]benzoic acid Traditional Name: 4-[[2-(2-bromophenyl)-5-keto-2-oxazolin-4-ylidene]methylamino]benzoic acid Formula: C17H11BrN2O4 MolecularWeight: 387.18424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=CNC3=CC=C(C=C3)C(=O)O)C(=O)O2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=CNC3=CC=C(C=C3)C(=O)O)C(=O)O2)Br

InChI

InChI=1S/C17H11BrN2O4/c18-13-4-2-1-3-12(13)15-20-14(17(23)24-15)9-19-11-7-5-10(6-8-11)16(21)22/h1-9,19H,(H,21,22)