[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C20H17FN4O6 MolecularWeight: 428.370583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O6/c1-12-2-7-15(16(10-12)25(28)29)22-17(26)11-30-19(27)9-8-18-23-20(24-31-18)13-3-5-14(21)6-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,26)