4-nitrooxybutyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: 4-nitrooxybutyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: 4-nitrooxybutyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid 4-nitrooxybutyl ester Formula: C21H22ClNO7 MolecularWeight: 435.85488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO7/c1-21(2,20(25)28-13-3-4-14-29-23(26)27)30-18-11-7-16(8-12-18)19(24)15-5-9-17(22)10-6-15/h5-12H,3-4,13-14H2,1-2H3