2-(furan-3-ylamino)-3-(4-iodophenyl)-3-methyl-1-oxidanylidene-pyrazolidin-1-ium-4-carboxylic acid

Systemtic Name: 2-(furan-3-ylamino)-3-(4-iodophenyl)-3-methyl-1-oxidanylidene-pyrazolidin-1-ium-4-carboxylic acid Openeye Name: 2-(3-furylamino)-3-(4-iodophenyl)-3-methyl-1-oxo-pyrazolidin-1-ium-4-carboxylic acid CAS Name: 2-(3-furanylamino)-3-(4-iodophenyl)-3-methyl-1-oxo-4-pyrazolidin-1-iumcarboxylic acid IUPAC Name: 2-(furan-3-ylamino)-3-(4-iodophenyl)-3-methyl-1-oxopyrazolidin-1-ium-4-carboxylic acid Traditional Name: 2-(3-furylamino)-3-(4-iodophenyl)-1-keto-3-methyl-pyrazolidin-1-ium-4-carboxylic acid Formula: C15H15IN3O4+ MolecularWeight: 428.20177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C[N+](=O)N1NC2=COC=C2)C(=O)O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1(C(C[N+](=O)N1NC2=COC=C2)C(=O)O)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H14IN3O4/c1-15(10-2-4-11(16)5-3-10)13(14(20)21)8-18(22)19(15)17-12-6-7-23-9-12/h2-7,9,13,17H,8H2,1H3/p+1