1-ethyl-6-fluoranyl-7-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(4-nitrobenzyl)piperazino]quinoline-3-carboxylic acid Formula: C23H23FN4O5 MolecularWeight: 454.450923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C23H23FN4O5/c1-2-26-14-18(23(30)31)22(29)17-11-19(24)21(12-20(17)26)27-9-7-25(8-10-27)13-15-3-5-16(6-4-15)28(32)33/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,30,31)