ethyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-2-fluoranyl-5-nitro-benzoate

Systemtic Name: ethyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-2-fluoranyl-5-nitro-benzoate Openeye Name: ethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-2-fluoro-5-nitro-benzoate CAS Name: 4-[3-(4-acetyl-1-piperazinyl)anilino]-2-fluoro-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-2-fluoro-5-nitrobenzoate Traditional Name: 4-[3-(4-acetylpiperazino)anilino]-2-fluoro-5-nitro-benzoic acid ethyl ester Formula: C21H23FN4O5 MolecularWeight: 430.429523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1F)NC2=CC=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1F)NC2=CC=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

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