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

Systemtic Name: (4-fluorophenyl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: (4-fluorophenyl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid (4-fluorobenzyl) ester Formula: C21H16ClFN2O4 MolecularWeight: 414.814143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H16ClFN2O4/c22-19-4-2-1-3-15(19)12-24-20-10-9-17(25(27)28)11-18(20)21(26)29-13-14-5-7-16(23)8-6-14/h1-11,24H,12-13H2