4-acetamido-2-but-3-ynoxy-5-chloranyl-benzoic acid

Systemtic Name: 4-acetamido-2-but-3-ynoxy-5-chloranyl-benzoic acid Openeye Name: 4-acetamido-2-but-3-ynoxy-5-chloro-benzoic acid CAS Name: 4-acetamido-2-but-3-ynoxy-5-chlorobenzoic acid IUPAC Name: 4-acetamido-2-but-3-ynoxy-5-chlorobenzoic acid Traditional Name: 4-acetamido-2-but-3-ynoxy-5-chloro-benzoic acid Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO4/c1-3-4-5-19-12-7-11(15-8(2)16)10(14)6-9(12)13(17)18/h1,6-7H,4-5H2,2H3,(H,15,16)(H,17,18)