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

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (4E)-3-methyl-4-(quinolin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (4E)-3-methyl-4-(quinoline-2-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(2-quinolinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) (4E)-3-methyl-4-(quinoline-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(quinaldoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C28H24ClN3O4 MolecularWeight: 501.96086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C28H24ClN3O4/c1-15-13-19(14-16(2)25(15)29)35-28(34)26-17(3)24-21(9-6-10-23(24)36-26)31-32-27(33)22-12-11-18-7-4-5-8-20(18)30-22/h4-5,7-8,11-14H,6,9-10H2,1-3H3,(H,32,33)/b31-21+