(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C16H14ClFN2O5 MolecularWeight: 368.744163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O5/c17-13-2-1-3-14(18)12(13)9-25-16(22)11-8-10(20(23)24)4-5-15(11)19-6-7-21/h1-5,8,19,21H,6-7,9H2