(4-ethanoylphenyl)methyl 4-(2-chloranyl-4-nitro-phenoxy)benzoate

Systemtic Name: (4-ethanoylphenyl)methyl 4-(2-chloranyl-4-nitro-phenoxy)benzoate Openeye Name: (4-acetylphenyl)methyl 4-(2-chloro-4-nitro-phenoxy)benzoate CAS Name: 4-(2-chloro-4-nitrophenoxy)benzoic acid (4-acetylphenyl)methyl ester IUPAC Name: (4-acetylphenyl)methyl 4-(2-chloro-4-nitrophenoxy)benzoate Traditional Name: 4-(2-chloro-4-nitro-phenoxy)benzoic acid (4-acetylbenzyl) ester Formula: C22H16ClNO6 MolecularWeight: 425.81854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClNO6/c1-14(25)16-4-2-15(3-5-16)13-29-22(26)17-6-9-19(10-7-17)30-21-11-8-18(24(27)28)12-20(21)23/h2-12H,13H2,1H3