(3-bromophenyl) 5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxylate

Systemtic Name: (3-bromophenyl) 5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxylate Openeye Name: (3-bromophenyl) 5-(3,4-dimethylphenyl)isoxazole-3-carboxylate CAS Name: 5-(3,4-dimethylphenyl)-3-isoxazolecarboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-(3,4-dimethylphenyl)isoxazole-3-carboxylic acid (3-bromophenyl) ester Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)OC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)OC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H14BrNO3/c1-11-6-7-13(8-12(11)2)17-10-16(20-23-17)18(21)22-15-5-3-4-14(19)9-15/h3-10H,1-2H3