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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) (4E)-3-methyl-4-(pyridin-4-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) (4E)-3-methyl-4-(pyridine-4-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) (4E)-3-methyl-4-(pyridine-4-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-(isonicotinoylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3-methyl-phenyl) ester Formula: C23H20ClN3O4 MolecularWeight: 437.8756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC=NC=C4)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC=NC=C4)C)Cl

InChI

InChI=1S/C23H20ClN3O4/c1-13-12-16(6-7-17(13)24)30-23(29)21-14(2)20-18(4-3-5-19(20)31-21)26-27-22(28)15-8-10-25-11-9-15/h6-12H,3-5H2,1-2H3,(H,27,28)/b26-18+