7-chloranyl-6-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-6-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-chloro-6-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-6-(4-ethoxycarbonyl-1-piperazinyl)-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-6-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(4-carbethoxypiperazino)-7-chloro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C23H21ClFN3O5 MolecularWeight: 473.881343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)O)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)O)Cl

InChI

InChI=1S/C23H21ClFN3O5/c1-2-33-23(32)27-9-7-26(8-10-27)20-11-16-19(12-18(20)24)28(13-17(21(16)29)22(30)31)15-5-3-14(25)4-6-15/h3-6,11-13H,2,7-10H2,1H3,(H,30,31)