2-[3-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-nitro-phenyl]propanoic acid

Systemtic Name: 2-[3-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-nitro-phenyl]propanoic acid Openeye Name: 2-[3-cyano-2-(2-ethoxy-2-oxo-ethyl)-4-nitro-phenyl]propanoic acid CAS Name: 2-[3-cyano-2-(2-ethoxy-2-oxoethyl)-4-nitrophenyl]propanoic acid IUPAC Name: 2-[3-cyano-2-(2-ethoxy-2-oxoethyl)-4-nitrophenyl]propanoic acid Traditional Name: 2-[3-cyano-2-(2-ethoxy-2-keto-ethyl)-4-nitro-phenyl]propionic acid Formula: C14H14N2O6 MolecularWeight: 306.27076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1C#N)[N+](=O)[O-])C(C)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1C#N)[N+](=O)[O-])C(C)C(=O)O

InChI

InChI=1S/C14H14N2O6/c1-3-22-13(17)6-10-9(8(2)14(18)19)4-5-12(16(20)21)11(10)7-15/h4-5,8H,3,6H2,1-2H3,(H,18,19)