3-(3-acetamidopropanoylamino)-4-chloranyl-benzoic acid

Systemtic Name: 3-(3-acetamidopropanoylamino)-4-chloranyl-benzoic acid Openeye Name: 3-(3-acetamidopropanoylamino)-4-chloro-benzoic acid CAS Name: 3-[(3-acetamido-1-oxopropyl)amino]-4-chlorobenzoic acid IUPAC Name: 3-(3-acetamidopropanoylamino)-4-chlorobenzoic acid Traditional Name: 3-(3-acetamidopropanoylamino)-4-chloro-benzoic acid Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(=O)NCCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C12H13ClN2O4/c1-7(16)14-5-4-11(17)15-10-6-8(12(18)19)2-3-9(10)13/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17)(H,18,19)