(2,2-dimethyl-3-nitrooxy-propyl) 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: (2,2-dimethyl-3-nitrooxy-propyl) 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: (2,2-dimethyl-3-nitrooxy-propyl) 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid (2,2-dimethyl-3-nitrooxypropyl) ester IUPAC Name: (2,2-dimethyl-3-nitrooxypropyl) 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid (2,2-dimethyl-3-nitrooxy-propyl) ester Formula: C22H24ClNO7 MolecularWeight: 449.88146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)CO[N+](=O)[O-]

Isomeric SMILES

CC(C)(COC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)CO[N+](=O)[O-]

InChI

InChI=1S/C22H24ClNO7/c1-21(2,14-30-24(27)28)13-29-20(26)22(3,4)31-18-11-7-16(8-12-18)19(25)15-5-9-17(23)10-6-15/h5-12H,13-14H2,1-4H3