[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H12F2N2O5 MolecularWeight: 350.273686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F2N2O5/c1-8(15(21)9-2-4-11(17)12(18)6-9)25-16(22)10-3-5-13(19)14(7-10)20(23)24/h2-8H,19H2,1H3