[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C20H20FN3O6 MolecularWeight: 417.387703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])F

InChI

InChI=1S/C20H20FN3O6/c1-13(25)23-14-8-9-15(16(21)11-14)19(26)12-30-20(27)7-4-10-22-17-5-2-3-6-18(17)24(28)29/h2-3,5-6,8-9,11,22H,4,7,10,12H2,1H3,(H,23,25)