4-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione

Systemtic Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione Openeye Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]-1-(4-iodophenyl)pyrazolidine-3,5-dione CAS Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione IUPAC Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione Traditional Name: 4-[4-[bis(2-chloroethyl)amino]benzylidene]-1-(4-iodophenyl)pyrazolidine-3,5-quinone Formula: C20H18Cl2IN3O2 MolecularWeight: 530.18629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)I)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)I)N(CCCl)CCCl

InChI

InChI=1S/C20H18Cl2IN3O2/c21-9-11-25(12-10-22)16-5-1-14(2-6-16)13-18-19(27)24-26(20(18)28)17-7-3-15(23)4-8-17/h1-8,13H,9-12H2,(H,24,27)