3-[[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]amino]propanoic acid Openeye Name: 3-[[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]amino]propanoic acid CAS Name: 3-[[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]amino]propanoic acid Traditional Name: 3-[[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]amino]propionic acid Formula: C11H16N2O3 MolecularWeight: 224.25634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CNCCC(=O)O)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/NCCC(=O)O)/C#N

InChI

InChI=1S/C11H16N2O3/c1-11(2,3)10(16)8(6-12)7-13-5-4-9(14)15/h7,13H,4-5H2,1-3H3,(H,14,15)/b8-7+