1-(2-cyano-6-oxidanyl-phenyl)-3-pentyl-urea

Systemtic Name: 1-(2-cyano-6-oxidanyl-phenyl)-3-pentyl-urea Openeye Name: 1-(2-cyano-6-hydroxy-phenyl)-3-pentyl-urea CAS Name: 1-(2-cyano-6-hydroxyphenyl)-3-pentylurea IUPAC Name: 1-(2-cyano-6-hydroxyphenyl)-3-pentylurea Traditional Name: 1-amyl-3-(2-cyano-6-hydroxy-phenyl)urea Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1O)C#N

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1O)C#N

InChI

InChI=1S/C13H17N3O2/c1-2-3-4-8-15-13(18)16-12-10(9-14)6-5-7-11(12)17/h5-7,17H,2-4,8H2,1H3,(H2,15,16,18)