4-acetamido-5-chloranyl-2-pent-3-yn-2-yloxy-benzoate

Systemtic Name: 4-acetamido-5-chloranyl-2-pent-3-yn-2-yloxy-benzoate Openeye Name: 4-acetamido-5-chloro-2-(1-methylbut-2-ynoxy)benzoate CAS Name: 4-acetamido-5-chloro-2-pent-3-yn-2-yloxybenzoate IUPAC Name: 4-acetamido-5-chloro-2-pent-3-yn-2-yloxybenzoate Traditional Name: 4-acetamido-5-chloro-2-(1-methylbut-2-ynoxy)benzoate Formula: C14H13ClNO4- MolecularWeight: 294.71032

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OC1=CC(=C(C=C1C(=O)[O-])Cl)NC(=O)C

Isomeric SMILES

CC#CC(C)OC1=CC(=C(C=C1C(=O)[O-])Cl)NC(=O)C

InChI

InChI=1S/C14H14ClNO4/c1-4-5-8(2)20-13-7-12(16-9(3)17)11(15)6-10(13)14(18)19/h6-8H,1-3H3,(H,16,17)(H,18,19)/p-1