4-chloranyl-3-(3-methylbutanoylamino)benzoate

Systemtic Name: 4-chloranyl-3-(3-methylbutanoylamino)benzoate Openeye Name: 4-chloro-3-(3-methylbutanoylamino)benzoate CAS Name: 4-chloro-3-[(3-methyl-1-oxobutyl)amino]benzoate IUPAC Name: 4-chloro-3-(3-methylbutanoylamino)benzoate Traditional Name: 4-chloro-3-(isovalerylamino)benzoate Formula: C12H13ClNO3- MolecularWeight: 254.68952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3/c1-7(2)5-11(15)14-10-6-8(12(16)17)3-4-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)/p-1