4-butan-2-ylidene-1-(4-iodophenyl)pyrazolidine-3,5-dione

Systemtic Name: 4-butan-2-ylidene-1-(4-iodophenyl)pyrazolidine-3,5-dione Openeye Name: 1-(4-iodophenyl)-4-(1-methylpropylidene)pyrazolidine-3,5-dione CAS Name: 4-butan-2-ylidene-1-(4-iodophenyl)pyrazolidine-3,5-dione IUPAC Name: 4-butan-2-ylidene-1-(4-iodophenyl)pyrazolidine-3,5-dione Traditional Name: 1-(4-iodophenyl)-4-(1-methylpropylidene)pyrazolidine-3,5-quinone Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NN(C1=O)C2=CC=C(C=C2)I)C

Isomeric SMILES

CCC(=C1C(=O)NN(C1=O)C2=CC=C(C=C2)I)C

InChI

InChI=1S/C13H13IN2O2/c1-3-8(2)11-12(17)15-16(13(11)18)10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17)