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

Systemtic Name: potassium (4E)-3-methyl-4-(quinolin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: potassium (4E)-3-methyl-4-(quinoline-2-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: potassium (4E)-3-methyl-4-[[oxo(2-quinolinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylate IUPAC Name: potassium (4E)-3-methyl-4-(quinoline-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: potassium (4E)-3-methyl-4-(quinaldoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate Formula: C20H16KN3O4 MolecularWeight: 401.45704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=NC4=CC=CC=C4C=C3)CCC2)C(=O)[O-].[K+]

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=NC4=CC=CC=C4C=C3)/CCC2)C(=O)[O-].[K+]

InChI

InChI=1S/C20H17N3O4.K/c1-11-17-14(7-4-8-16(17)27-18(11)20(25)26)22-23-19(24)15-10-9-12-5-2-3-6-13(12)21-15;/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,23,24)(H,25,26);/q;+1/p-1/b22-14+;