4-[[3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]-(4-iodophenyl)methyl]benzenecarbonitrile

Systemtic Name: 4-[[3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]-(4-iodophenyl)methyl]benzenecarbonitrile Openeye Name: 4-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]benzonitrile CAS Name: 4-[(3,5-dioxo-4-pyrazolidinylidene)-(4-iodophenyl)methyl]benzonitrile IUPAC Name: 4-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]benzonitrile Traditional Name: 4-[(3,5-diketopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]benzonitrile Formula: C17H10IN3O2 MolecularWeight: 415.18467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=C2C(=O)NNC2=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=C2C(=O)NNC2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H10IN3O2/c18-13-7-5-12(6-8-13)14(15-16(22)20-21-17(15)23)11-3-1-10(9-19)2-4-11/h1-8H,(H,20,22)(H,21,23)