[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]benzoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]benzoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-(difluoromethoxy)benzoate CAS Name: 4-(difluoromethoxy)benzoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate Traditional Name: 4-(difluoromethoxy)benzoic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C16H11ClF2N2O6 MolecularWeight: 400.718146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])OC(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C16H11ClF2N2O6/c17-10-3-6-13(21(24)25)12(7-10)20-14(22)8-26-15(23)9-1-4-11(5-2-9)27-16(18)19/h1-7,16H,8H2,(H,20,22)