methyl 2-[(4-chlorophenyl)-(3-fluorophenyl)methoxy]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-chlorophenyl)-(3-fluorophenyl)methoxy]-5-nitro-benzoate Openeye Name: methyl 2-[(4-chlorophenyl)-(3-fluorophenyl)methoxy]-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)-(3-fluorophenyl)methoxy]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)-(3-fluorophenyl)methoxy]-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)-(3-fluorophenyl)methoxy]-5-nitro-benzoic acid methyl ester Formula: C21H15ClFNO5 MolecularWeight: 415.798903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC(C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC(C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H15ClFNO5/c1-28-21(25)18-12-17(24(26)27)9-10-19(18)29-20(13-5-7-15(22)8-6-13)14-3-2-4-16(23)11-14/h2-12,20H,1H3