(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-butoxy-3-ethoxy-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-butoxy-3-ethoxy-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

InChI

InChI=1S/C22H25NO8/c1-3-5-8-29-19-7-6-15(11-20(19)28-4-2)22(24)30-13-17-10-18(23(25)26)9-16-12-27-14-31-21(16)17/h6-7,9-11H,3-5,8,12-14H2,1-2H3