5-bromanyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate

Systemtic Name: 5-bromanyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate Openeye Name: 5-bromo-2-[[(2S)-2-methylbutanoyl]amino]benzoate CAS Name: 5-bromo-2-[[(2S)-2-methyl-1-oxobutyl]amino]benzoate IUPAC Name: 5-bromo-2-[[(2S)-2-methylbutanoyl]amino]benzoate Traditional Name: 5-bromo-2-[[(2S)-2-methylbutanoyl]amino]benzoate Formula: C12H13BrNO3- MolecularWeight: 299.14052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C(=O)NC1=C(C=C(C=C1)Br)C(=O)[O-]

InChI

InChI=1S/C12H14BrNO3/c1-3-7(2)11(15)14-10-5-4-8(13)6-9(10)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)/p-1/t7-/m0/s1