4-(1,3-benzodioxol-5-yl)-2-ethoxy-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxy-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxy-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxy-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxy-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-ethoxy-6-(2-hydroxyethylamino)dinicotinonitrile Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=N1)NCCO)C#N)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC1=C(C(=C(C(=N1)NCCO)C#N)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C18H16N4O4/c1-2-24-18-13(9-20)16(12(8-19)17(22-18)21-5-6-23)11-3-4-14-15(7-11)26-10-25-14/h3-4,7,23H,2,5-6,10H2,1H3,(H,21,22)