(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C14H10BrN3O3 MolecularWeight: 348.1515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3O3/c15-10-6-11(16-7-10)14(19)20-8-12-17-13(18-21-12)9-4-2-1-3-5-9/h1-7,16H,8H2