[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-bromo-2-furoyl)amino]acetic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C16H11BrF3N3O7 MolecularWeight: 494.17365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)COC(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H11BrF3N3O7/c17-12-4-3-11(30-12)15(26)21-6-14(25)29-7-13(24)22-10-2-1-8(23(27)28)5-9(10)16(18,19)20/h1-5H,6-7H2,(H,21,26)(H,22,24)