[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(hydroxymethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)CO

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)CO

InChI

InChI=1S/C13H13NO4/c1-2-7-14-12(16)9-18-13(17)11-5-3-10(8-15)4-6-11/h1,3-6,15H,7-9H2,(H,14,16)