(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16N2O7/c1-12(28-17-4-2-13(8-20)3-5-17)19(22)26-10-15-7-16(21(23)24)6-14-9-25-11-27-18(14)15/h2-7,12H,9-11H2,1H3/t12-/m1/s1