(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=NO2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=NO2)C

InChI

InChI=1S/C14H11BrN2O4/c1-3-19-11-6-9(7-16)5-10(15)13(11)20-14(18)12-4-8(2)17-21-12/h4-6H,3H2,1-2H3