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

Systemtic Name: propan-2-yl (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CN=CC=C3)CCC2)C(=O)OC(C)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CN=CC=C3)/CCC2)C(=O)OC(C)C

InChI

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