2,4-bis(bromanyl)-6-(3-imidazol-1-ylpropylcarbamoyl)phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-(3-imidazol-1-ylpropylcarbamoyl)phenolate Openeye Name: 2,4-dibromo-6-(3-imidazol-1-ylpropylcarbamoyl)phenolate CAS Name: 2,4-dibromo-6-[[3-(1-imidazolyl)propylamino]-oxomethyl]phenolate IUPAC Name: 2,4-dibromo-6-(3-imidazol-1-ylpropylcarbamoyl)phenolate Traditional Name: 2,4-dibromo-6-(3-imidazol-1-ylpropylcarbamoyl)phenolate Formula: C13H12Br2N3O2- MolecularWeight: 402.06128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)C2=CC(=CC(=C2[O-])Br)Br

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)C2=CC(=CC(=C2[O-])Br)Br

InChI

InChI=1S/C13H13Br2N3O2/c14-9-6-10(12(19)11(15)7-9)13(20)17-2-1-4-18-5-3-16-8-18/h3,5-8,19H,1-2,4H2,(H,17,20)/p-1