(4-chloranyl-3,5-dimethyl-phenyl) (4E)-3-methyl-4-[(4-phenylphenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (4E)-3-methyl-4-[(4-phenylphenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (4E)-3-methyl-4-[(4-phenylbenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo-(4-phenylphenyl)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-[(4-phenylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(4-phenylbenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C31H27ClN2O4 MolecularWeight: 527.01008

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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=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H27ClN2O4/c1-18-16-24(17-19(2)28(18)32)37-31(36)29-20(3)27-25(10-7-11-26(27)38-29)33-34-30(35)23-14-12-22(13-15-23)21-8-5-4-6-9-21/h4-6,8-9,12-17H,7,10-11H2,1-3H3,(H,34,35)/b33-25+