5-[bis(bromanyl)methyl]-2-[4-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4-propan-2-yl-imidazol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[bis(bromanyl)methyl]-2-[4-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4-propan-2-yl-imidazol-2-yl]pyridine-3-carboxylic acid Openeye Name: 2-(1-benzoyl-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)-5-(dibromomethyl)pyridine-3-carboxylic acid CAS Name: 2-(1-benzoyl-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-5-(dibromomethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(1-benzoyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-(dibromomethyl)pyridine-3-carboxylic acid Traditional Name: 2-(1-benzoyl-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-(dibromomethyl)nicotinic acid Formula: C21H19Br2N3O4 MolecularWeight: 537.20126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)O)C(Br)Br)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)O)C(Br)Br)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19Br2N3O4/c1-11(2)21(3)20(30)26(18(27)12-7-5-4-6-8-12)17(25-21)15-14(19(28)29)9-13(10-24-15)16(22)23/h4-11,16H,1-3H3,(H,28,29)