[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H12BrFN2O5 MolecularWeight: 411.179283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])F

InChI

InChI=1S/C16H12BrFN2O5/c17-13-6-3-11(7-14(13)20(23)24)16(22)25-9-15(21)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,21)