ethyl 2-[6-azanyl-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]propanoate

Systemtic Name: ethyl 2-[6-azanyl-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]propanoate Openeye Name: ethyl 2-[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]propanoate CAS Name: 2-[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]propanoate Traditional Name: 2-[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]propionic acid ethyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCCO3)C#N)N

Isomeric SMILES

CCOC(=O)C(C)C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCCO3)C#N)N

InChI

InChI=1S/C20H18N4O4/c1-3-26-20(25)11(2)18-13(9-21)17(14(10-22)19(23)24-18)12-4-5-15-16(8-12)28-7-6-27-15/h4-5,8,11H,3,6-7H2,1-2H3,(H2,23,24)