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

Systemtic Name: potassium (4E)-3-methyl-4-(pyridin-4-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: potassium (4E)-3-methyl-4-(pyridine-4-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: potassium (4E)-3-methyl-4-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylate IUPAC Name: potassium (4E)-3-methyl-4-(pyridine-4-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: potassium (4E)-4-(isonicotinoylhydrazono)-3-methyl-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=CC=NC=C3)CCC2)C(=O)[O-].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4.K/c1-9-13-11(3-2-4-12(13)23-14(9)16(21)22)18-19-15(20)10-5-7-17-8-6-10;/h5-8H,2-4H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1/b18-11+;