potassium (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: potassium (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: potassium (4E)-3-methyl-4-(pyridine-3-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: potassium (4E)-3-methyl-4-[[oxo(3-pyridinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylate IUPAC Name: potassium (4E)-3-methyl-4-(pyridine-3-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: potassium (4E)-3-methyl-4-(nicotinoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate Formula: C16H14KN3O4 MolecularWeight: 351.39836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CN=CC=C3)CCC2)C(=O)[O-].[K+]

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CN=CC=C3)/CCC2)C(=O)[O-].[K+]

InChI

InChI=1S/C16H15N3O4.K/c1-9-13-11(5-2-6-12(13)23-14(9)16(21)22)18-19-15(20)10-4-3-7-17-8-10;/h3-4,7-8H,2,5-6H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1/b18-11+;