1-ethyl-6-fluoranyl-7-[4-(2-nitrophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(2-nitrophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(2-nitrobenzoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(2-nitrophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(2-nitrobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(2-nitrobenzoyl)piperazino]quinoline-3-carboxylic acid Formula: C23H21FN4O6 MolecularWeight: 468.434443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O6/c1-2-25-13-16(23(31)32)21(29)15-11-17(24)20(12-19(15)25)26-7-9-27(10-8-26)22(30)14-5-3-4-6-18(14)28(33)34/h3-6,11-13H,2,7-10H2,1H3,(H,31,32)