1-(2-isocyanatopropan-2-yl)-3-prop-1-ynyl-benzene

Systemtic Name: 1-(2-isocyanatopropan-2-yl)-3-prop-1-ynyl-benzene Openeye Name: 1-(1-isocyanato-1-methyl-ethyl)-3-prop-1-ynyl-benzene CAS Name: 1-(2-isocyanatopropan-2-yl)-3-prop-1-ynylbenzene IUPAC Name: 1-(2-isocyanatopropan-2-yl)-3-prop-1-ynylbenzene Traditional Name: 1-(1-isocyanato-1-methyl-ethyl)-3-prop-1-ynyl-benzene Formula: C13H13NO MolecularWeight: 199.24842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO/c1-4-6-11-7-5-8-12(9-11)13(2,3)14-10-15/h5,7-9H,1-3H3