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

Systemtic Name: methyl 5-bromanyl-3-(1H-imidazol-5-ylmethyl)-4-methyl-2-oxidanyl-benzoate Openeye Name: methyl 5-bromo-2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methyl-benzoate CAS Name: 5-bromo-2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methylbenzoate Traditional Name: 5-bromo-2-hydroxy-3-(1H-imidazol-5-ylmethyl)-4-methyl-benzoic acid methyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1CC2=CN=CN2)O)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=C(C(=C1CC2=CN=CN2)O)C(=O)OC)Br

InChI

InChI=1S/C13H13BrN2O3/c1-7-9(3-8-5-15-6-16-8)12(17)10(4-11(7)14)13(18)19-2/h4-6,17H,3H2,1-2H3,(H,15,16)