1-(2-isocyanatobut-3-en-2-yl)-2-methyl-benzene

Systemtic Name: 1-(2-isocyanatobut-3-en-2-yl)-2-methyl-benzene Openeye Name: 1-(1-isocyanato-1-methyl-allyl)-2-methyl-benzene CAS Name: 1-(2-isocyanatobut-3-en-2-yl)-2-methylbenzene IUPAC Name: 1-(2-isocyanatobut-3-en-2-yl)-2-methylbenzene Traditional Name: 1-(1-isocyanato-1-methyl-allyl)-2-methyl-benzene Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-4-12(3,13-9-14)11-8-6-5-7-10(11)2/h4-8H,1H2,2-3H3