4-[(3aS)-5-chloranyl-3-oxidanyl-1-oxidanylidene-3a,4,7,7a-tetrahydroinden-2-yl]-N-(4-bromophenyl)benzamide

Systemtic Name: 4-[(3aS)-5-chloranyl-3-oxidanyl-1-oxidanylidene-3a,4,7,7a-tetrahydroinden-2-yl]-N-(4-bromophenyl)benzamide Openeye Name: 4-[(3aS)-5-chloro-3-hydroxy-1-oxo-3a,4,7,7a-tetrahydroinden-2-yl]-N-(4-bromophenyl)benzamide CAS Name: 4-[(3aS)-5-chloro-3-hydroxy-1-oxo-3a,4,7,7a-tetrahydroinden-2-yl]-N-(4-bromophenyl)benzamide IUPAC Name: 4-[(3aS)-5-chloro-3-hydroxy-1-oxo-3a,4,7,7a-tetrahydroinden-2-yl]-N-(4-bromophenyl)benzamide Traditional Name: 4-[(3aS)-5-chloro-3-hydroxy-1-keto-3a,4,7,7a-tetrahydroinden-2-yl]-N-(4-bromophenyl)benzamide Formula: C22H17BrClNO3 MolecularWeight: 458.73228

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)C(=C2O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1C=C(C[C@H]2C1C(=O)C(=C2O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C22H17BrClNO3/c23-14-5-8-16(9-6-14)25-22(28)13-3-1-12(2-4-13)19-20(26)17-10-7-15(24)11-18(17)21(19)27/h1-9,17-18,27H,10-11H2,(H,25,28)/t17?,18-/m0/s1