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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic 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-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO8 MolecularWeight: 403.38264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

InChI

InChI=1S/C20H21NO8/c1-12(2)29-17-5-4-13(8-18(17)25-3)20(22)27-10-15-7-16(21(23)24)6-14-9-26-11-28-19(14)15/h4-8,12H,9-11H2,1-3H3