(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

InChI

InChI=1S/C21H23NO8/c1-13(2)9-28-18-5-4-14(8-19(18)26-3)21(23)29-11-16-7-17(22(24)25)6-15-10-27-12-30-20(15)16/h4-8,13H,9-12H2,1-3H3