5-[[5-(4-iodophenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[5-(4-iodophenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[[5-(4-iodophenyl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[[5-(4-iodophenyl)-5-methyl-2-oxo-3-oxolanyl]amino]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[[5-(4-iodophenyl)-5-methyl-2-oxooxolan-3-yl]amino]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[[5-(4-iodophenyl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carboxylic acid Formula: C15H14IN3O4 MolecularWeight: 427.19383

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)NC2=C(C=NN2)C(=O)O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1(CC(C(=O)O1)NC2=C(C=NN2)C(=O)O)C3=CC=C(C=C3)I

InChI

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