tert-butyl 6-bromanyl-3-methoxy-2-methyl-benzoate; methanamine

Systemtic Name: tert-butyl 6-bromanyl-3-methoxy-2-methyl-benzoate; methanamine Openeye Name: tert-butyl 6-bromo-3-methoxy-2-methyl-benzoate; methanamine CAS Name: 6-bromo-3-methoxy-2-methylbenzoic acid tert-butyl ester; methanamine IUPAC Name: tert-butyl 6-bromo-3-methoxy-2-methylbenzoate; methanamine Traditional Name: 6-bromo-3-methoxy-2-methyl-benzoic acid tert-butyl ester; methylamine Formula: C14H22BrNO3 MolecularWeight: 332.23338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC(C)(C)C)Br)OC.CN

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC(C)(C)C)Br)OC.CN

InChI

InChI=1S/C13H17BrO3.CH5N/c1-8-10(16-5)7-6-9(14)11(8)12(15)17-13(2,3)4;1-2/h6-7H,1-5H3;2H2,1H3