(2,3-dimethyl-4-prop-1-en-2-yl-phenyl)-isocyanato-methanone

Systemtic Name: (2,3-dimethyl-4-prop-1-en-2-yl-phenyl)-isocyanato-methanone Openeye Name: 4-isopropenyl-2,3-dimethyl-benzoyl isocyanate CAS Name: [2,3-dimethyl-4-(1-methylethenyl)phenyl]-isocyanatomethanone IUPAC Name: 2,3-dimethyl-4-prop-1-en-2-ylbenzoyl isocyanate Traditional Name: isocyanato-(4-isopropenyl-2,3-dimethyl-phenyl)methanone Formula: C13H13NO2 MolecularWeight: 215.24782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2/c1-8(2)11-5-6-12(10(4)9(11)3)13(16)14-7-15/h5-6H,1H2,2-4H3