methyl 2-fluoranyl-6-[3-fluoranyl-4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-fluoranyl-4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]benzoate Openeye Name: methyl 2-fluoro-6-[3-fluoro-4-[[(5-nitro-2-pyridyl)amino]methyl]phenyl]benzoate CAS Name: 2-fluoro-6-[3-fluoro-4-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-fluoro-4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]benzoate Traditional Name: 2-fluoro-6-[3-fluoro-4-[[(5-nitro-2-pyridyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C20H15F2N3O4 MolecularWeight: 399.347606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H15F2N3O4/c1-29-20(26)19-15(3-2-4-16(19)21)12-5-6-13(17(22)9-12)10-23-18-8-7-14(11-24-18)25(27)28/h2-9,11H,10H2,1H3,(H,23,24)