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

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (4E)-4-[(2-bromophenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (4E)-4-[(2-bromobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[(2-bromophenyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) (4E)-4-[(2-bromobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(2-bromobenzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C25H22BrClN2O4 MolecularWeight: 529.81018

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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=CC=C4Br)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC=CC=C4Br)C

InChI

InChI=1S/C25H22BrClN2O4/c1-13-11-16(12-14(2)22(13)27)32-25(31)23-15(3)21-19(9-6-10-20(21)33-23)28-29-24(30)17-7-4-5-8-18(17)26/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,29,30)/b28-19+