(4E)-1-(4-bromophenyl)-4-[(5-chloranyl-3-methoxy-2-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: (4E)-1-(4-bromophenyl)-4-[(5-chloranyl-3-methoxy-2-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: (4E)-1-(4-bromophenyl)-4-[(5-chloro-2-hydroxy-3-methoxy-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: (4E)-1-(4-bromophenyl)-4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: (4E)-1-(4-bromophenyl)-4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: (4E)-1-(4-bromophenyl)-4-(5-chloro-2-hydroxy-3-methoxy-benzylidene)pyrazolidine-3,5-quinone Formula: C17H12BrClN2O4 MolecularWeight: 423.64518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)/C=C/2\C(=O)NN(C2=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H12BrClN2O4/c1-25-14-8-11(19)6-9(15(14)22)7-13-16(23)20-21(17(13)24)12-4-2-10(18)3-5-12/h2-8,22H,1H3,(H,20,23)/b13-7+