4,5-dimethoxy-2-(prop-2-ynoylamino)benzoate

Systemtic Name: 4,5-dimethoxy-2-(prop-2-ynoylamino)benzoate Openeye Name: 4,5-dimethoxy-2-(prop-2-ynoylamino)benzoate CAS Name: 4,5-dimethoxy-2-(1-oxoprop-2-ynylamino)benzoate IUPAC Name: 4,5-dimethoxy-2-(prop-2-ynoylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(propioloylamino)benzoate Formula: C12H10NO5- MolecularWeight: 248.2115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)C#C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)C#C)OC

InChI

InChI=1S/C12H11NO5/c1-4-11(14)13-8-6-10(18-3)9(17-2)5-7(8)12(15)16/h1,5-6H,2-3H3,(H,13,14)(H,15,16)/p-1