3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]propanoate

Systemtic Name: 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-4-methyl-oxazol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-4-methyl-2-oxazolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-4-methyl-oxazol-2-yl]propionate Formula: C13H11BrNO3- MolecularWeight: 309.13534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)CCC(=O)[O-])C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(OC(=N1)CCC(=O)[O-])C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H12BrNO3/c1-8-13(9-2-4-10(14)5-3-9)18-11(15-8)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,16,17)/p-1