(2-methoxy-5-nitro-phenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O8/c1-13-18(14(2)32-23-13)12-30-20-7-5-15(10-21(20)29-4)22(25)31-11-16-9-17(24(26)27)6-8-19(16)28-3/h5-10H,11-12H2,1-4H3