[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H16BrN3O3 MolecularWeight: 390.23124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C17H16BrN3O3/c1-10(2)11-3-5-12(6-4-11)16-20-15(24-21-16)9-23-17(22)14-7-13(18)8-19-14/h3-8,10,19H,9H2,1-2H3