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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)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-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H25NO7 MolecularWeight: 415.4364

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-14(30-19-7-5-17(6-8-19)22(2,3)4)21(24)28-12-16-10-18(23(25)26)9-15-11-27-13-29-20(15)16/h5-10,14H,11-13H2,1-4H3/t14-/m1/s1