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

Systemtic Name: ethyl (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-3-24-18(23)16-11(2)15-13(7-4-8-14(15)25-16)20-21-17(22)12-6-5-9-19-10-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22)/b20-13+