[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C16H12ClFN2O5 MolecularWeight: 366.728283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H12ClFN2O5/c1-9-13(3-2-4-14(9)20(23)24)19-15(21)8-25-16(22)11-6-5-10(18)7-12(11)17/h2-7H,8H2,1H3,(H,19,21)