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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)NOC(=O)C2=CNN=C2)C3=CC=C(C=C3)I

Isomeric SMILES

CC1(CC(C(=O)O1)NOC(=O)C2=CNN=C2)C3=CC=C(C=C3)I

InChI

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