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

Systemtic Name: pyridin-3-yl (4E)-3-methyl-4-(pyridin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (4E)-3-methyl-4-(pyridine-2-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(2-pyridinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (4E)-3-methyl-4-(pyridine-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(picolinoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=CC=N3)CCC2)C(=O)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=CC=N3)/CCC2)C(=O)OC4=CN=CC=C4

InChI

InChI=1S/C21H18N4O4/c1-13-18-15(24-25-20(26)16-7-2-3-11-23-16)8-4-9-17(18)29-19(13)21(27)28-14-6-5-10-22-12-14/h2-3,5-7,10-12H,4,8-9H2,1H3,(H,25,26)/b24-15+