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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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