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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-methylbutoxy)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H23NO7/c1-14(2)7-8-27-19-5-3-15(4-6-19)21(23)28-12-17-10-18(22(24)25)9-16-11-26-13-29-20(16)17/h3-6,9-10,14H,7-8,11-13H2,1-2H3