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

Systemtic Name: propyl (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: propyl (4E)-3-methyl-4-(pyridine-3-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(3-pyridinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid propyl ester IUPAC Name: propyl (4E)-3-methyl-4-(pyridine-3-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(nicotinoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid propyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C2=C(O1)CCCC2=NNC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CCCOC(=O)C1=C(C\2=C(O1)CCC/C2=N\NC(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C19H21N3O4/c1-3-10-25-19(24)17-12(2)16-14(7-4-8-15(16)26-17)21-22-18(23)13-6-5-9-20-11-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,22,23)/b21-14+