methyl 3-[2-bromanylethanoyl(propan-2-yl)amino]-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[2-bromanylethanoyl(propan-2-yl)amino]-4-oxidanyl-benzoate Openeye Name: methyl 3-[(2-bromoacetyl)-isopropyl-amino]-4-hydroxy-benzoate CAS Name: 3-[(2-bromo-1-oxoethyl)-propan-2-ylamino]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[(2-bromoacetyl)-propan-2-ylamino]-4-hydroxybenzoate Traditional Name: 3-[(2-bromoacetyl)-isopropyl-amino]-4-hydroxy-benzoic acid methyl ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(C=CC(=C1)C(=O)OC)O)C(=O)CBr

Isomeric SMILES

CC(C)N(C1=C(C=CC(=C1)C(=O)OC)O)C(=O)CBr

InChI

InChI=1S/C13H16BrNO4/c1-8(2)15(12(17)7-14)10-6-9(13(18)19-3)4-5-11(10)16/h4-6,8,16H,7H2,1-3H3