dimethyl 2-[2-nitro-4-[3-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]phenyl]propanedioate

Systemtic Name: dimethyl 2-[2-nitro-4-[3-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]phenyl]propanedioate Openeye Name: dimethyl 2-[2-nitro-4-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]propanedioate CAS Name: 2-[2-nitro-4-[3-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-nitro-4-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]propanedioate Traditional Name: 2-[2-nitro-4-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]malonic acid dimethyl ester Formula: C19H15F3N2O7 MolecularWeight: 440.32681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2O7/c1-30-16(25)15(17(26)31-2)13-7-6-11(9-14(13)24(28)29)10-4-3-5-12(8-10)23-18(27)19(20,21)22/h3-9,15H,1-2H3,(H,23,27)