methyl 3-(1H-imidazol-5-ylmethyl)-4-methyl-2-oxidanyl-benzoate hydrobromide

Systemtic Name: methyl 3-(1H-imidazol-5-ylmethyl)-4-methyl-2-oxidanyl-benzoate hydrobromide Openeye Name: methyl 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methyl-benzoate hydrobromide CAS Name: 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methylbenzoic acid methyl ester hydrobromide IUPAC Name: methyl 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methylbenzoate hydrobromide Traditional Name: 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methyl-benzoic acid methyl ester hydrobromide Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)OC)O)CC2=CN=CN2.Br

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)OC)O)CC2=CN=CN2.Br

InChI

InChI=1S/C13H14N2O3.BrH/c1-8-3-4-10(13(17)18-2)12(16)11(8)5-9-6-14-7-15-9;/h3-4,6-7,16H,5H2,1-2H3,(H,14,15);1H