heptan-2-yl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate

Systemtic Name: heptan-2-yl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: 1-methylhexyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid 1-methylhexyl ester Formula: C20H21Cl2NO5 MolecularWeight: 426.29044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21Cl2NO5/c1-3-4-5-6-13(2)27-20(24)16-12-15(8-9-18(16)23(25)26)28-19-10-7-14(21)11-17(19)22/h7-13H,3-6H2,1-2H3