5-(bromomethyl)-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

Systemtic Name: 5-(bromomethyl)-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate Openeye Name: 5-(bromomethyl)-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate CAS Name: 5-(bromomethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylate IUPAC Name: 5-(bromomethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate Traditional Name: 5-(bromomethyl)-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinate Formula: C14H15BrN3O3- MolecularWeight: 353.1912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)[O-])CBr)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)[O-])CBr)C

InChI

InChI=1S/C14H16BrN3O3/c1-7(2)14(3)13(21)17-11(18-14)10-9(12(19)20)4-8(5-15)6-16-10/h4,6-7H,5H2,1-3H3,(H,19,20)(H,17,18,21)/p-1