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

Systemtic Name: nonan-2-yl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: 1-methyloctyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid nonan-2-yl ester IUPAC Name: nonan-2-yl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid 1-methyloctyl ester Formula: C22H25Cl2NO5 MolecularWeight: 454.3436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2NO5/c1-3-4-5-6-7-8-15(2)29-22(26)18-14-17(10-11-20(18)25(27)28)30-21-12-9-16(23)13-19(21)24/h9-15H,3-8H2,1-2H3