(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16N4O7 MolecularWeight: 412.35294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC(=NO3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC(=NO3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O7/c24-17(5-4-16-21-19(22-30-16)15-3-1-2-6-20-15)28-10-13-8-14(23(25)26)7-12-9-27-11-29-18(12)13/h1-3,6-8H,4-5,9-11H2