[1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(2,4-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13F2N3O5 MolecularWeight: 365.288326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F2N3O5/c1-8(15(22)20-14-5-2-9(17)6-12(14)18)26-16(23)11-7-10(21(24)25)3-4-13(11)19/h2-8H,19H2,1H3,(H,20,22)