[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]-4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-fluoroanilino)-4-oxo-4-phenyl-butanoate CAS Name: 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate Traditional Name: 2-(4-fluoroanilino)-4-keto-4-phenyl-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C25H21FN2O6 MolecularWeight: 464.442443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C(CC(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C(CC(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C25H21FN2O6/c1-16-7-8-18(13-22(16)28(32)33)24(30)15-34-25(31)21(27-20-11-9-19(26)10-12-20)14-23(29)17-5-3-2-4-6-17/h2-13,21,27H,14-15H2,1H3