methyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; 2-nitrobenzoate

Systemtic Name: methyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; 2-nitrobenzoate Openeye Name: methyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate; 2-nitrobenzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid methyl ester; 2-nitrobenzoate IUPAC Name: methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate; 2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid methyl ester; 2-nitrobenzoate Formula: C21H13Cl2N2O9- MolecularWeight: 508.24192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9Cl2NO5.C7H5NO4/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-7H,1H3;1-4H,(H,9,10)/p-1