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

Systemtic Name: 2-bromanyl-3-[2-[(2,4-dimethylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-5-methyl-imidazole-4-carboxylic acid Openeye Name: 2-bromo-5-methyl-3-[2-oxo-2-(N,2,4-trimethylanilino)ethyl]imidazole-4-carboxylic acid CAS Name: 2-bromo-5-methyl-3-[2-oxo-2-(N,2,4-trimethylanilino)ethyl]-4-imidazolecarboxylic acid IUPAC Name: 2-bromo-5-methyl-3-[2-oxo-2-(N,2,4-trimethylanilino)ethyl]imidazole-4-carboxylic acid Traditional Name: 2-bromo-3-[2-keto-2-(N,2,4-trimethylanilino)ethyl]-5-methyl-imidazole-4-carboxylic acid Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)CN2C(=C(N=C2Br)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)CN2C(=C(N=C2Br)C)C(=O)O)C

InChI

InChI=1S/C16H18BrN3O3/c1-9-5-6-12(10(2)7-9)19(4)13(21)8-20-14(15(22)23)11(3)18-16(20)17/h5-7H,8H2,1-4H3,(H,22,23)