methyl 2-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-cyano-2-[3-(piperonylamino)quinoxalin-2-yl]acetic acid methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N4O4/c1-26-20(25)13(9-21)18-19(24-15-5-3-2-4-14(15)23-18)22-10-12-6-7-16-17(8-12)28-11-27-16/h2-8,13H,10-11H2,1H3,(H,22,24)