sodium 2-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]propanoate

Systemtic Name: sodium 2-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]propanoate Openeye Name: sodium 2-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]propanoate CAS Name: sodium 2-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]propanoate IUPAC Name: sodium 2-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]propanoate Traditional Name: sodium 2-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]propionate Formula: C16H11BrNNaO3 MolecularWeight: 368.15721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Br)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Br)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H12BrNO3.Na/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10;/h2-9H,1H3,(H,19,20);/q;+1/p-1