1-[8-(2-chloroethyl)-6-ethoxycarbonyl-3-fluoranyl-5-oxidanylidene-1,8-naphthyridin-2-yl]-4-ethoxy-piperazine-2-carboxylic acid

Systemtic Name: 1-[8-(2-chloroethyl)-6-ethoxycarbonyl-3-fluoranyl-5-oxidanylidene-1,8-naphthyridin-2-yl]-4-ethoxy-piperazine-2-carboxylic acid Openeye Name: 1-[8-(2-chloroethyl)-6-ethoxycarbonyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl]-4-ethoxy-piperazine-2-carboxylic acid CAS Name: 1-[8-(2-chloroethyl)-6-ethoxycarbonyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl]-4-ethoxy-2-piperazinecarboxylic acid IUPAC Name: 1-[8-(2-chloroethyl)-6-ethoxycarbonyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl]-4-ethoxypiperazine-2-carboxylic acid Traditional Name: 1-[6-carbethoxy-8-(2-chloroethyl)-3-fluoro-5-keto-1,8-naphthyridin-2-yl]-4-ethoxy-piperazine-2-carboxylic acid Formula: C20H24ClFN4O6 MolecularWeight: 470.879163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3CCN(CC3C(=O)O)OCC)CCCl

Isomeric SMILES

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3CCN(CC3C(=O)O)OCC)CCCl

InChI

InChI=1S/C20H24ClFN4O6/c1-3-31-20(30)13-10-24(6-5-21)17-12(16(13)27)9-14(22)18(23-17)26-8-7-25(32-4-2)11-15(26)19(28)29/h9-10,15H,3-8,11H2,1-2H3,(H,28,29)