2-[[(5-chloranyl-2-phenoxy-phenyl)amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[(5-chloranyl-2-phenoxy-phenyl)amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(5-chloro-2-phenoxy-anilino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(5-chloro-2-phenoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(5-chloro-2-phenoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(5-chloro-2-phenoxy-anilino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C21H20ClNO3/c1-21(2)11-18(24)16(19(25)12-21)13-23-17-10-14(22)8-9-20(17)26-15-6-4-3-5-7-15/h3-10,13,23H,11-12H2,1-2H3