methyl 4-[3,4-bis(fluoranyl)phenyl]-3-(3-bromanylpropylcarbamoyl)-2-oxidanylidene-1H-imidazole-5-carboxylate

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-3-(3-bromanylpropylcarbamoyl)-2-oxidanylidene-1H-imidazole-5-carboxylate Openeye Name: methyl 3-(3-bromopropylcarbamoyl)-4-(3,4-difluorophenyl)-2-oxo-1H-imidazole-5-carboxylate CAS Name: 3-[(3-bromopropylamino)-oxomethyl]-4-(3,4-difluorophenyl)-2-oxo-1H-imidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-bromopropylcarbamoyl)-4-(3,4-difluorophenyl)-2-oxo-1H-imidazole-5-carboxylate Traditional Name: 1-(3-bromopropylcarbamoyl)-5-(3,4-difluorophenyl)-2-keto-4-imidazoline-4-carboxylic acid methyl ester Formula: C15H14BrF2N3O4 MolecularWeight: 418.190166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)N1)C(=O)NCCCBr)C2=CC(=C(C=C2)F)F

Isomeric SMILES

COC(=O)C1=C(N(C(=O)N1)C(=O)NCCCBr)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C15H14BrF2N3O4/c1-25-13(22)11-12(8-3-4-9(17)10(18)7-8)21(15(24)20-11)14(23)19-6-2-5-16/h3-4,7H,2,5-6H2,1H3,(H,19,23)(H,20,24)