5-(2-azanylbutanoylamino)-2-chloranyl-benzoic acid

Systemtic Name: 5-(2-azanylbutanoylamino)-2-chloranyl-benzoic acid Openeye Name: 5-(2-aminobutanoylamino)-2-chloro-benzoic acid CAS Name: 5-[(2-amino-1-oxobutyl)amino]-2-chlorobenzoic acid IUPAC Name: 5-(2-aminobutanoylamino)-2-chlorobenzoic acid Traditional Name: 5-(2-aminobutanoylamino)-2-chloro-benzoic acid Formula: C11H13ClN2O3 MolecularWeight: 256.68552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)N

InChI

InChI=1S/C11H13ClN2O3/c1-2-9(13)10(15)14-6-3-4-8(12)7(5-6)11(16)17/h3-5,9H,2,13H2,1H3,(H,14,15)(H,16,17)