2-[2-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]phenoxy]acetic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=CC=C1OCC(=O)O)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CC=CC=C1OCC(=O)O)/C#N

InChI

InChI=1S/C13H12N2O4/c1-15-13(18)10(7-14)6-9-4-2-3-5-11(9)19-8-12(16)17/h2-6H,8H2,1H3,(H,15,18)(H,16,17)/b10-6+