[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(2,4-difluoroanilino)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-(2,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-difluoroanilino)-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-(2,4-difluoroanilino)-2-keto-ethyl] ester Formula: C19H18F2N2O5 MolecularWeight: 392.353426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F2N2O5/c1-19(2,3)13-6-4-11(8-16(13)23(26)27)18(25)28-10-17(24)22-15-7-5-12(20)9-14(15)21/h4-9H,10H2,1-3H3,(H,22,24)