methyl 4-acetamido-5-chloranyl-3-ethynyl-2-oxidanyl-benzoate

Systemtic Name: methyl 4-acetamido-5-chloranyl-3-ethynyl-2-oxidanyl-benzoate Openeye Name: methyl 4-acetamido-5-chloro-3-ethynyl-2-hydroxy-benzoate CAS Name: 4-acetamido-5-chloro-3-ethynyl-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-5-chloro-3-ethynyl-2-hydroxybenzoate Traditional Name: 4-acetamido-5-chloro-3-ethynyl-2-hydroxy-benzoic acid methyl ester Formula: C12H10ClNO4 MolecularWeight: 267.6651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1C#C)O)C(=O)OC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1C#C)O)C(=O)OC)Cl

InChI

InChI=1S/C12H10ClNO4/c1-4-7-10(14-6(2)15)9(13)5-8(11(7)16)12(17)18-3/h1,5,16H,2-3H3,(H,14,15)