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

Systemtic Name: octan-2-yl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: 1-methylheptyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid 1-methylheptyl ester Formula: C21H23Cl2NO5 MolecularWeight: 440.31702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2NO5/c1-3-4-5-6-7-14(2)28-21(25)17-13-16(9-10-19(17)24(26)27)29-20-11-8-15(22)12-18(20)23/h8-14H,3-7H2,1-2H3