2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoro-2-pyridyl]amino]methylene]propanedioic acid CAS Name: 2-[[[6-(4-ethoxycarbonyl-1-piperazinyl)-5-fluoro-2-pyridinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoropyridin-2-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[6-(4-carbethoxypiperazino)-5-fluoro-2-pyridyl]amino]methylene]malonic acid Formula: C16H19FN4O6 MolecularWeight: 382.343663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)NC=C(C(=O)O)C(=O)O)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)NC=C(C(=O)O)C(=O)O)F

InChI

InChI=1S/C16H19FN4O6/c1-2-27-16(26)21-7-5-20(6-8-21)13-11(17)3-4-12(19-13)18-9-10(14(22)23)15(24)25/h3-4,9H,2,5-8H2,1H3,(H,18,19)(H,22,23)(H,24,25)