3-(4-acetamido-3-chloranyl-phenyl)prop-2-ynoic acid

Systemtic Name: 3-(4-acetamido-3-chloranyl-phenyl)prop-2-ynoic acid Openeye Name: 3-(4-acetamido-3-chloro-phenyl)prop-2-ynoic acid CAS Name: 3-(4-acetamido-3-chlorophenyl)-2-propynoic acid IUPAC Name: 3-(4-acetamido-3-chlorophenyl)prop-2-ynoic acid Traditional Name: 3-(4-acetamido-3-chloro-phenyl)propiolic acid Formula: C11H8ClNO3 MolecularWeight: 237.63912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClNO3/c1-7(14)13-10-4-2-8(6-9(10)12)3-5-11(15)16/h2,4,6H,1H3,(H,13,14)(H,15,16)