5-nitrooxypentyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: 5-nitrooxypentyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: 5-nitrooxypentyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid 5-nitrooxypentyl ester IUPAC Name: 5-nitrooxypentyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid 5-nitrooxypentyl ester Formula: C22H24ClNO7 MolecularWeight: 449.88146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO7/c1-22(2,21(26)29-14-4-3-5-15-30-24(27)28)31-19-12-8-17(9-13-19)20(25)16-6-10-18(23)11-7-16/h6-13H,3-5,14-15H2,1-2H3