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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-tert-butylphenoxy)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(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 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(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)(C)C1=CC=C(C=C1)OCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C22H25NO7/c1-22(2,3)17-4-6-19(7-5-17)28-9-8-20(24)29-13-16-11-18(23(25)26)10-15-12-27-14-30-21(15)16/h4-7,10-11H,8-9,12-14H2,1-3H3