6-[(3-cyanophenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-cyanophenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-cyanoanilino)-6-oxo-hexanoic acid CAS Name: 6-(3-cyanoanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-cyanoanilino)-6-oxohexanoic acid Traditional Name: 6-(3-cyanoanilino)-6-keto-hexanoic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCCC(=O)O)C#N

InChI

InChI=1S/C13H14N2O3/c14-9-10-4-3-5-11(8-10)15-12(16)6-1-2-7-13(17)18/h3-5,8H,1-2,6-7H2,(H,15,16)(H,17,18)