ethyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]butanoate

Systemtic Name: ethyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]butanoate Openeye Name: ethyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]butanoate CAS Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyanopyridin-2-yl]butanoate Traditional Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]butyric acid ethyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N)C(=O)OCC

Isomeric SMILES

CCC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N)C(=O)OCC

InChI

InChI=1S/C20H18N4O4/c1-3-12(20(25)26-4-2)18-13(8-21)17(14(9-22)19(23)24-18)11-5-6-15-16(7-11)28-10-27-15/h5-7,12H,3-4,10H2,1-2H3,(H2,23,24)