ethyl 4-(2-bromanyl-3-methyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-3-methyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-(2-bromo-3-methyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylate CAS Name: 4-[(2-bromo-3-methylphenyl)-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-3-methylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylate Traditional Name: 4-(2-bromo-3-methyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid ethyl ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C(=CC=C2)C)Br)C3CC3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C(=CC=C2)C)Br)C3CC3

InChI

InChI=1S/C17H16BrNO4/c1-3-22-17(21)14-12(16(23-19-14)10-7-8-10)15(20)11-6-4-5-9(2)13(11)18/h4-6,10H,3,7-8H2,1-2H3