[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H24ClNO6 MolecularWeight: 469.91416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)OC5=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)OC5=C(C=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H24ClNO6/c26-19-3-6-22(21(10-19)27(30)31)33-20-4-1-18(2-5-20)24(29)32-14-23(28)25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17H,7-9,11-14H2