1-(2-isocyanatopropan-2-yl)-3-[(E)-prop-1-enyl]benzene

Systemtic Name: 1-(2-isocyanatopropan-2-yl)-3-[(E)-prop-1-enyl]benzene Openeye Name: 1-(1-isocyanato-1-methyl-ethyl)-3-[(E)-prop-1-enyl]benzene CAS Name: 1-(2-isocyanatopropan-2-yl)-3-[(E)-prop-1-enyl]benzene IUPAC Name: 1-(2-isocyanatopropan-2-yl)-3-[(E)-prop-1-enyl]benzene Traditional Name: 1-(1-isocyanato-1-methyl-ethyl)-3-[(E)-prop-1-enyl]benzene Formula: C13H15NO MolecularWeight: 201.2643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=CC=C1)C(C)(C)N=C=O

Isomeric SMILES

C/C=C/C1=CC(=CC=C1)C(C)(C)N=C=O

InChI

InChI=1S/C13H15NO/c1-4-6-11-7-5-8-12(9-11)13(2,3)14-10-15/h4-9H,1-3H3/b6-4+