(E)-3-[3-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[2-keto-2-(propargylamino)ethoxy]phenyl]acrylic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC1=CC=CC(=C1)C=CC(=O)O

Isomeric SMILES

C#CCNC(=O)COC1=CC=CC(=C1)/C=C/C(=O)O

InChI

InChI=1S/C14H13NO4/c1-2-8-15-13(16)10-19-12-5-3-4-11(9-12)6-7-14(17)18/h1,3-7,9H,8,10H2,(H,15,16)(H,17,18)/b7-6+