5-(2-isocyanatopropan-2-yl)-1-prop-1-en-2-yl-cyclohexa-1,3-diene

Systemtic Name: 5-(2-isocyanatopropan-2-yl)-1-prop-1-en-2-yl-cyclohexa-1,3-diene Openeye Name: 5-(1-isocyanato-1-methyl-ethyl)-1-isopropenyl-cyclohexa-1,3-diene CAS Name: 5-(2-isocyanatopropan-2-yl)-1-(1-methylethenyl)cyclohexa-1,3-diene IUPAC Name: 5-(2-isocyanatopropan-2-yl)-1-prop-1-en-2-ylcyclohexa-1,3-diene Traditional Name: 5-(1-isocyanato-1-methyl-ethyl)-1-isopropenyl-cyclohexa-1,3-diene Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-7,12H,1,8H2,2-4H3