(E)-5-(2-cyanophenyl)-4-methyl-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-(2-cyanophenyl)-4-methyl-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(2-cyanophenyl)-4-methyl-3-oxo-pent-4-enoic acid CAS Name: (E)-5-(2-cyanophenyl)-4-methyl-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(2-cyanophenyl)-4-methyl-3-oxopent-4-enoic acid Traditional Name: (E)-5-(2-cyanophenyl)-3-keto-4-methyl-pent-4-enoic acid Formula: C13H11NO3 MolecularWeight: 229.23134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1C#N)C(=O)CC(=O)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1C#N)/C(=O)CC(=O)O

InChI

InChI=1S/C13H11NO3/c1-9(12(15)7-13(16)17)6-10-4-2-3-5-11(10)8-14/h2-6H,7H2,1H3,(H,16,17)/b9-6+