1-(2-isocyanato-3-methyl-but-3-en-2-yl)-3-methyl-benzene

Systemtic Name: 1-(2-isocyanato-3-methyl-but-3-en-2-yl)-3-methyl-benzene Openeye Name: 1-(1-isocyanato-1,2-dimethyl-allyl)-3-methyl-benzene CAS Name: 1-(2-isocyanato-3-methylbut-3-en-2-yl)-3-methylbenzene IUPAC Name: 1-(2-isocyanato-3-methylbut-3-en-2-yl)-3-methylbenzene Traditional Name: 1-(1-isocyanato-1,2-dimethyl-allyl)-3-methyl-benzene Formula: C13H15NO MolecularWeight: 201.2643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-10(2)13(4,14-9-15)12-7-5-6-11(3)8-12/h5-8H,1H2,2-4H3