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

Systemtic Name: (2,4-dichlorophenyl) (4E)-3-methyl-4-(pyridin-4-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2,4-dichlorophenyl) (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 (2,4-dichlorophenyl) ester IUPAC Name: (2,4-dichlorophenyl) (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 (2,4-dichlorophenyl) ester Formula: C22H17Cl2N3O4 MolecularWeight: 458.29408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=NC=C3)CCC2)C(=O)OC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2N3O4/c1-12-19-16(26-27-21(28)13-7-9-25-10-8-13)3-2-4-18(19)30-20(12)22(29)31-17-6-5-14(23)11-15(17)24/h5-11H,2-4H2,1H3,(H,27,28)/b26-16+