2-chloranyl-4-(hexanoylamino)benzoate

Systemtic Name: 2-chloranyl-4-(hexanoylamino)benzoate Openeye Name: 2-chloro-4-(hexanoylamino)benzoate CAS Name: 2-chloro-4-(1-oxohexylamino)benzoate IUPAC Name: 2-chloro-4-(hexanoylamino)benzoate Traditional Name: 4-(caproylamino)-2-chloro-benzoate Formula: C13H15ClNO3- MolecularWeight: 268.7161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-2-3-4-5-12(16)15-9-6-7-10(13(17)18)11(14)8-9/h6-8H,2-5H2,1H3,(H,15,16)(H,17,18)/p-1