methyl 4-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(5-bromo-2-hydroxy-benzoyl)-1H-pyrrole-2-carboxylate CAS Name: 4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(5-bromo-2-hydroxybenzoyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(5-bromo-2-hydroxy-benzoyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H10BrNO4 MolecularWeight: 324.1268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

COC(=O)C1=CC(=CN1)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H10BrNO4/c1-19-13(18)10-4-7(6-15-10)12(17)9-5-8(14)2-3-11(9)16/h2-6,15-16H,1H3