2-[[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[(2-benzoyl-4-chloro-anilino)methylene]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 2-[(2-benzoyl-4-chloroanilino)methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[(2-benzoyl-4-chloroanilino)methylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[(2-benzoyl-4-chloro-anilino)methylene]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(=CNC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(=CNC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)C2

InChI

InChI=1S/C27H22ClNO3/c1-17-7-9-18(10-8-17)20-13-25(30)23(26(31)14-20)16-29-24-12-11-21(28)15-22(24)27(32)19-5-3-2-4-6-19/h2-12,15-16,20,29H,13-14H2,1H3