2-bromanyl-3-[2-[chloranyl-(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-5-ethyl-imidazole-4-carboxylic acid

Systemtic Name: 2-bromanyl-3-[2-[chloranyl-(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-5-ethyl-imidazole-4-carboxylic acid Openeye Name: 2-bromo-3-[2-(N-chloro-2,4-dimethyl-anilino)-2-oxo-ethyl]-5-ethyl-imidazole-4-carboxylic acid CAS Name: 2-bromo-3-[2-(N-chloro-2,4-dimethylanilino)-2-oxoethyl]-5-ethyl-4-imidazolecarboxylic acid IUPAC Name: 2-bromo-3-[2-(N-chloro-2,4-dimethylanilino)-2-oxoethyl]-5-ethylimidazole-4-carboxylic acid Traditional Name: 2-bromo-3-[2-(N-chloro-2,4-dimethyl-anilino)-2-keto-ethyl]-5-ethyl-imidazole-4-carboxylic acid Formula: C16H17BrClN3O3 MolecularWeight: 414.68148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=N1)Br)CC(=O)N(C2=C(C=C(C=C2)C)C)Cl)C(=O)O

Isomeric SMILES

CCC1=C(N(C(=N1)Br)CC(=O)N(C2=C(C=C(C=C2)C)C)Cl)C(=O)O

InChI

InChI=1S/C16H17BrClN3O3/c1-4-11-14(15(23)24)20(16(17)19-11)8-13(22)21(18)12-6-5-9(2)7-10(12)3/h5-7H,4,8H2,1-3H3,(H,23,24)