azanyl 4-[3-(4-ethanoylpiperazin-1-yl)phenyl]-2-ethyl-6-fluoranyl-3-nitro-benzoate

Systemtic Name: azanyl 4-[3-(4-ethanoylpiperazin-1-yl)phenyl]-2-ethyl-6-fluoranyl-3-nitro-benzoate Openeye Name: amino 4-[3-(4-acetylpiperazin-1-yl)phenyl]-2-ethyl-6-fluoro-3-nitro-benzoate CAS Name: 4-[3-(4-acetyl-1-piperazinyl)phenyl]-2-ethyl-6-fluoro-3-nitrobenzoic acid amino ester IUPAC Name: amino 4-[3-(4-acetylpiperazin-1-yl)phenyl]-2-ethyl-6-fluoro-3-nitrobenzoate Traditional Name: 4-[3-(4-acetylpiperazino)phenyl]-2-ethyl-6-fluoro-3-nitro-benzoic acid amino ester Formula: C21H23FN4O5 MolecularWeight: 430.429523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1C(=O)ON)F)C2=CC(=CC=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC(=C1C(=O)ON)F)C2=CC(=CC=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O5/c1-3-16-19(21(28)31-23)18(22)12-17(20(16)26(29)30)14-5-4-6-15(11-14)25-9-7-24(8-10-25)13(2)27/h4-6,11-12H,3,7-10,23H2,1-2H3