4-(2-isocyanatocyclopenten-1-yl)but-3-ynylbenzene

Systemtic Name: 4-(2-isocyanatocyclopenten-1-yl)but-3-ynylbenzene Openeye Name: 4-(2-isocyanatocyclopenten-1-yl)but-3-ynylbenzene CAS Name: 4-(2-isocyanato-1-cyclopentenyl)but-3-ynylbenzene IUPAC Name: 4-(2-isocyanatocyclopenten-1-yl)but-3-ynylbenzene Traditional Name: 4-(2-isocyanatocyclopenten-1-yl)but-3-ynylbenzene Formula: C16H15NO MolecularWeight: 237.2964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)N=C=O)C#CCCC2=CC=CC=C2

Isomeric SMILES

C1CC(=C(C1)N=C=O)C#CCCC2=CC=CC=C2

InChI

InChI=1S/C16H15NO/c18-13-17-16-12-6-11-15(16)10-5-4-9-14-7-2-1-3-8-14/h1-3,7-8H,4,6,9,11-12H2