[2-(bromomethyl)-2-methyl-3-oxidanyl-propyl] 4-azanyl-3,5-bis(bromanyl)benzoate

Systemtic Name: [2-(bromomethyl)-2-methyl-3-oxidanyl-propyl] 4-azanyl-3,5-bis(bromanyl)benzoate Openeye Name: [2-(bromomethyl)-3-hydroxy-2-methyl-propyl] 4-amino-3,5-dibromo-benzoate CAS Name: 4-amino-3,5-dibromobenzoic acid [2-(bromomethyl)-3-hydroxy-2-methylpropyl] ester IUPAC Name: [2-(bromomethyl)-3-hydroxy-2-methylpropyl] 4-amino-3,5-dibromobenzoate Traditional Name: 4-amino-3,5-dibromo-benzoic acid [2-(bromomethyl)-3-hydroxy-2-methyl-propyl] ester Formula: C12H14Br3NO3 MolecularWeight: 459.95646

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(COC(=O)C1=CC(=C(C(=C1)Br)N)Br)CBr

Isomeric SMILES

CC(CO)(COC(=O)C1=CC(=C(C(=C1)Br)N)Br)CBr

InChI

InChI=1S/C12H14Br3NO3/c1-12(4-13,5-17)6-19-11(18)7-2-8(14)10(16)9(15)3-7/h2-3,17H,4-6,16H2,1H3