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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H16FNO5 MolecularWeight: 345.321743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FNO5/c1-12-2-6-14(10-16(12)20(23)24)17(21)11-25-18(22)9-5-13-3-7-15(19)8-4-13/h2-4,6-8,10H,5,9,11H2,1H3