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

Systemtic Name: 4-[[3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]-(4-iodophenyl)methyl]benzoic acid Openeye Name: 4-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]benzoic acid CAS Name: 4-[(3,5-dioxo-4-pyrazolidinylidene)-(4-iodophenyl)methyl]benzoic acid IUPAC Name: 4-[(3,5-dioxopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]benzoic acid Traditional Name: 4-[(3,5-diketopyrazolidin-4-ylidene)-(4-iodophenyl)methyl]benzoic acid Formula: C17H11IN2O4 MolecularWeight: 434.18471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11IN2O4/c18-12-7-5-10(6-8-12)13(14-15(21)19-20-16(14)22)9-1-3-11(4-2-9)17(23)24/h1-8H,(H,19,21)(H,20,22)(H,23,24)