(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H20N2O8/c1-13-20(14(2)32-23-13)11-29-19-5-3-4-15(8-19)22(25)30-10-17-7-18(24(26)27)6-16-9-28-12-31-21(16)17/h3-8H,9-12H2,1-2H3