1-butyl-3-(3-cyano-4-methyl-phenyl)urea

Systemtic Name: 1-butyl-3-(3-cyano-4-methyl-phenyl)urea Openeye Name: 1-butyl-3-(3-cyano-4-methyl-phenyl)urea CAS Name: 1-butyl-3-(3-cyano-4-methylphenyl)urea IUPAC Name: 1-butyl-3-(3-cyano-4-methylphenyl)urea Traditional Name: 1-butyl-3-(3-cyano-4-methyl-phenyl)urea Formula: C13H17N3O MolecularWeight: 231.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)C)C#N

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)C)C#N

InChI

InChI=1S/C13H17N3O/c1-3-4-7-15-13(17)16-12-6-5-10(2)11(8-12)9-14/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,17)