4-(2-isocyanatoethyl)-1,2-dimethyl-benzene

Systemtic Name: 4-(2-isocyanatoethyl)-1,2-dimethyl-benzene Openeye Name: 4-(2-isocyanatoethyl)-1,2-dimethyl-benzene CAS Name: 4-(2-isocyanatoethyl)-1,2-dimethylbenzene IUPAC Name: 4-(2-isocyanatoethyl)-1,2-dimethylbenzene Traditional Name: 4-(2-isocyanatoethyl)-1,2-dimethyl-benzene Formula: C11H13NO MolecularWeight: 175.22702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCN=C=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCN=C=O)C

InChI

InChI=1S/C11H13NO/c1-9-3-4-11(7-10(9)2)5-6-12-8-13/h3-4,7H,5-6H2,1-2H3