[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C16H12ClFN2O5 MolecularWeight: 366.728283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C16H12ClFN2O5/c1-9(25-16(22)13-8-10(17)2-7-14(13)18)15(21)19-11-3-5-12(6-4-11)20(23)24/h2-9H,1H3,(H,19,21)