(4-fluorophenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (4-fluorophenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (4-fluorophenyl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (4-fluorobenzyl) ester Formula: C22H17FN2O5 MolecularWeight: 408.379183

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O5/c1-24-19-11-8-15(12-20(19)25(28)29)21(26)17-4-2-3-5-18(17)22(27)30-13-14-6-9-16(23)10-7-14/h2-12,24H,13H2,1H3