5,6-bis(chloranyl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 5,6-bis(chloranyl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[(5-methylisoxazol-3-yl)methyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[(5-methyl-3-isoxazolyl)methyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[(5-methylisoxazol-3-yl)methyl]isoindoline-1,3-quinone Formula: C13H8Cl2N2O3 MolecularWeight: 311.12022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

CC1=CC(=NO1)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C13H8Cl2N2O3/c1-6-2-7(16-20-6)5-17-12(18)8-3-10(14)11(15)4-9(8)13(17)19/h2-4H,5H2,1H3