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

Systemtic Name: ethyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]propanoate Openeye Name: ethyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]propanoate CAS Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyanopyridin-2-yl]propanoate Traditional Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]propionic acid ethyl ester Formula: C19H16N4O4 MolecularWeight: 364.35474

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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)OCO3)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4/c1-3-25-19(24)10(2)17-12(7-20)16(13(8-21)18(22)23-17)11-4-5-14-15(6-11)27-9-26-14/h4-6,10H,3,9H2,1-2H3,(H2,22,23)