7-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]heptanoic acid

Systemtic Name: 7-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]heptanoic acid Openeye Name: 7-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]heptanoic acid CAS Name: 7-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]heptanoic acid IUPAC Name: 7-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]heptanoic acid Traditional Name: 7-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]enanthic acid Formula: C12H18N2O4 MolecularWeight: 254.28232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C(\NCCCCCCC(=O)O)/O)/C#N

InChI

InChI=1S/C12H18N2O4/c1-9(15)10(8-13)12(18)14-7-5-3-2-4-6-11(16)17/h14,18H,2-7H2,1H3,(H,16,17)/b12-10+