1-isocyanato-2,4-dimethyl-3-prop-1-en-2-yl-benzene

Systemtic Name: 1-isocyanato-2,4-dimethyl-3-prop-1-en-2-yl-benzene Openeye Name: 1-isocyanato-3-isopropenyl-2,4-dimethyl-benzene CAS Name: 1-isocyanato-2,4-dimethyl-3-(1-methylethenyl)benzene IUPAC Name: 1-isocyanato-2,4-dimethyl-3-prop-1-en-2-ylbenzene Traditional Name: 1-isocyanato-3-isopropenyl-2,4-dimethyl-benzene Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-8(2)12-9(3)5-6-11(10(12)4)13-7-14/h5-6H,1H2,2-4H3