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

Systemtic Name: ethyl 3-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]propanoate Openeye Name: ethyl 3-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]propanoate CAS Name: 3-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyanopyridin-2-yl]propanoate Traditional Name: 3-[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)CCC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N

Isomeric SMILES

CCOC(=O)CCC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N

InChI

InChI=1S/C19H16N4O4/c1-2-25-17(24)6-4-14-12(8-20)18(13(9-21)19(22)23-14)11-3-5-15-16(7-11)27-10-26-15/h3,5,7H,2,4,6,10H2,1H3,(H2,22,23)