phenacyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: phenacyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: phenacyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid phenacyl ester Formula: C21H14ClNO6 MolecularWeight: 411.79196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClNO6/c22-16-8-11-20(18(12-16)23(26)27)29-17-9-6-15(7-10-17)21(25)28-13-19(24)14-4-2-1-3-5-14/h1-12H,13H2