2-[(5-fluoranyl-4-methyl-6-pyridin-3-yl-2,3-dihydroquinoxalin-1-yl)methylidene]propanedioic acid

Systemtic Name: 2-[(5-fluoranyl-4-methyl-6-pyridin-3-yl-2,3-dihydroquinoxalin-1-yl)methylidene]propanedioic acid Openeye Name: 2-[[5-fluoro-4-methyl-6-(3-pyridyl)-2,3-dihydroquinoxalin-1-yl]methylene]propanedioic acid CAS Name: 2-[[5-fluoro-4-methyl-6-(3-pyridinyl)-2,3-dihydroquinoxalin-1-yl]methylidene]propanedioic acid IUPAC Name: 2-[(5-fluoro-4-methyl-6-pyridin-3-yl-2,3-dihydroquinoxalin-1-yl)methylidene]propanedioic acid Traditional Name: 2-[[5-fluoro-4-methyl-6-(3-pyridyl)-2,3-dihydroquinoxalin-1-yl]methylene]malonic acid Formula: C18H16FN3O4 MolecularWeight: 357.335743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C2=C1C(=C(C=C2)C3=CN=CC=C3)F)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(C2=C1C(=C(C=C2)C3=CN=CC=C3)F)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H16FN3O4/c1-21-7-8-22(10-13(17(23)24)18(25)26)14-5-4-12(15(19)16(14)21)11-3-2-6-20-9-11/h2-6,9-10H,7-8H2,1H3,(H,23,24)(H,25,26)