3-methoxy-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]benzoate

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]benzoate Openeye Name: 3-methoxy-4-[2-oxo-2-(prop-2-ynylamino)ethoxy]benzoate CAS Name: 3-methoxy-4-[2-oxo-2-(prop-2-ynylamino)ethoxy]benzoate IUPAC Name: 3-methoxy-4-[2-oxo-2-(prop-2-ynylamino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(propargylamino)ethoxy]-3-methoxy-benzoate Formula: C13H12NO5- MolecularWeight: 262.23808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])OCC(=O)NCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])OCC(=O)NCC#C

InChI

InChI=1S/C13H13NO5/c1-3-6-14-12(15)8-19-10-5-4-9(13(16)17)7-11(10)18-2/h1,4-5,7H,6,8H2,2H3,(H,14,15)(H,16,17)/p-1