5-isocyanato-4-isocyanatooxy-2-methyl-pent-1-en-3-one

Systemtic Name: 5-isocyanato-4-isocyanatooxy-2-methyl-pent-1-en-3-one Openeye Name: 5-isocyanato-4-isocyanatooxy-2-methyl-pent-1-en-3-one CAS Name: 5-isocyanato-4-isocyanatooxy-2-methyl-1-penten-3-one IUPAC Name: 5-isocyanato-4-isocyanatooxy-2-methylpent-1-en-3-one Traditional Name: 5-isocyanato-4-isocyanatooxy-2-methyl-pent-1-en-3-one Formula: C8H8N2O4 MolecularWeight: 196.16012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)C(CN=C=O)ON=C=O

Isomeric SMILES

CC(=C)C(=O)C(CN=C=O)ON=C=O

InChI

InChI=1S/C8H8N2O4/c1-6(2)8(13)7(3-9-4-11)14-10-5-12/h7H,1,3H2,2H3