[1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(2,5-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=CC(=C1)F)F)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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