[5-bromanyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridin-3-yl] hydrogen carbonate

Systemtic Name: [5-bromanyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridin-3-yl] hydrogen carbonate Openeye Name: [5-bromo-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl] ester IUPAC Name: [5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [5-bromo-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-3-pyridyl] ester Formula: C13H14BrN3O4 MolecularWeight: 356.17196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2OC(=O)O)Br)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2OC(=O)O)Br)C

InChI

InChI=1S/C13H14BrN3O4/c1-6(2)13(3)11(18)16-10(17-13)9-8(21-12(19)20)4-7(14)5-15-9/h4-6H,1-3H3,(H,19,20)(H,16,17,18)