methyl 3-acetamido-4-ethynyl-benzoate

Systemtic Name: methyl 3-acetamido-4-ethynyl-benzoate Openeye Name: methyl 3-acetamido-4-ethynyl-benzoate CAS Name: 3-acetamido-4-ethynylbenzoic acid methyl ester IUPAC Name: methyl 3-acetamido-4-ethynylbenzoate Traditional Name: 3-acetamido-4-ethynyl-benzoic acid methyl ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-4-9-5-6-10(12(15)16-3)7-11(9)13-8(2)14/h1,5-7H,2-3H3,(H,13,14)