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

Systemtic Name: ethyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]ethanoate Openeye Name: ethyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]acetate CAS Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyanopyridin-2-yl]acetate Traditional Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]acetic acid ethyl ester Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N

Isomeric SMILES

CCOC(=O)CC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N

InChI

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