(5-cyano-2-fluoranyl-phenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C23H16FN3O5 MolecularWeight: 433.388643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16FN3O5/c1-26-20-9-7-15(11-21(20)27(30)31)22(28)17-4-2-3-5-18(17)23(29)32-13-16-10-14(12-25)6-8-19(16)24/h2-11,26H,13H2,1H3