3-[3-(5-isocyanopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-5-propoxy-benzenecarbonitrile

Systemtic Name: 3-[3-(5-isocyanopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-5-propoxy-benzenecarbonitrile Openeye Name: 3-[3-(5-isocyano-2-pyridyl)-1,2,4-oxadiazol-5-yl]-5-propoxy-benzonitrile CAS Name: 3-[3-(5-isocyano-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-propoxybenzonitrile IUPAC Name: 3-[3-(5-isocyanopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-5-propoxybenzonitrile Traditional Name: 3-[3-(5-isocyano-2-pyridyl)-1,2,4-oxadiazol-5-yl]-5-propoxy-benzonitrile Formula: C18H13N5O2 MolecularWeight: 331.32812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1)C2=NC(=NO2)C3=NC=C(C=C3)[N+]#[C-])C#N

Isomeric SMILES

CCCOC1=CC(=CC(=C1)C2=NC(=NO2)C3=NC=C(C=C3)[N+]#[C-])C#N

InChI

InChI=1S/C18H13N5O2/c1-3-6-24-15-8-12(10-19)7-13(9-15)18-22-17(23-25-18)16-5-4-14(20-2)11-21-16/h4-5,7-9,11H,3,6H2,1H3