[2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[4-(difluoromethoxy)phenyl]-2-keto-ethyl] ester Formula: C16H12F2N2O6 MolecularWeight: 366.273086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F2N2O6/c17-16(18)26-11-4-1-9(2-5-11)14(21)8-25-15(22)10-3-6-12(19)13(7-10)20(23)24/h1-7,16H,8,19H2