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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(propan-2-yloxymethyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(propan-2-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H21NO7/c1-13(2)26-9-14-3-5-15(6-4-14)20(22)27-11-17-8-18(21(23)24)7-16-10-25-12-28-19(16)17/h3-8,13H,9-12H2,1-2H3