4-chloranyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate

Systemtic Name: 4-chloranyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate Openeye Name: 4-chloro-2-[[(2S)-2-methylbutanoyl]amino]benzoate CAS Name: 4-chloro-2-[[(2S)-2-methyl-1-oxobutyl]amino]benzoate IUPAC Name: 4-chloro-2-[[(2S)-2-methylbutanoyl]amino]benzoate Traditional Name: 4-chloro-2-[[(2S)-2-methylbutanoyl]amino]benzoate Formula: C12H13ClNO3- MolecularWeight: 254.68952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=CC(=C1)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3/c1-3-7(2)11(15)14-10-6-8(13)4-5-9(10)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)/p-1/t7-/m0/s1