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

Systemtic Name: methyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O4/c1-9(18(23)24-2)16-11(6-19)15(12(7-20)17(21)22-16)10-3-4-13-14(5-10)26-8-25-13/h3-5,9H,8H2,1-2H3,(H2,21,22)