4-[(4-isocyanatocyclohexyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[(4-isocyanatocyclohexyl)methyl]isoindole-1,3-dione Openeye Name: 4-[(4-isocyanatocyclohexyl)methyl]isoindoline-1,3-dione CAS Name: 4-[(4-isocyanatocyclohexyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[(4-isocyanatocyclohexyl)methyl]isoindole-1,3-dione Traditional Name: 4-[(4-isocyanatocyclohexyl)methyl]isoindoline-1,3-quinone Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC2=CC=CC3=C2C(=O)NC3=O)N=C=O

Isomeric SMILES

C1CC(CCC1CC2=CC=CC3=C2C(=O)NC3=O)N=C=O

InChI

InChI=1S/C16H16N2O3/c19-9-17-12-6-4-10(5-7-12)8-11-2-1-3-13-14(11)16(21)18-15(13)20/h1-3,10,12H,4-8H2,(H,18,20,21)