(1-ethynylcyclohexyl) 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (1-ethynylcyclohexyl) 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: (1-ethynylcyclohexyl) 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid (1-ethynylcyclohexyl) ester IUPAC Name: (1-ethynylcyclohexyl) 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid (1-ethynylcyclohexyl) ester Formula: C21H17Cl2NO5 MolecularWeight: 434.26938

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C#CC1(CCCCC1)OC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17Cl2NO5/c1-2-21(10-4-3-5-11-21)29-20(25)16-13-15(7-8-18(16)24(26)27)28-19-9-6-14(22)12-17(19)23/h1,6-9,12-13H,3-5,10-11H2