2-[[(3-chlorophenyl)amino]methylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[[(3-chlorophenyl)amino]methylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[(3-chloroanilino)methylene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[(3-chloroanilino)methylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[(3-chloroanilino)methylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[(3-chloroanilino)methylene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-quinone Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C(=CNC3=CC(=CC=C3)Cl)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C(=CNC3=CC(=CC=C3)Cl)C(=O)C2)OC

InChI

InChI=1S/C21H20ClNO4/c1-26-20-7-6-13(10-21(20)27-2)14-8-18(24)17(19(25)9-14)12-23-16-5-3-4-15(22)11-16/h3-7,10-12,14,23H,8-9H2,1-2H3