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

Systemtic Name: ethyl 3-[[5-(4-iodophenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[[5-(4-iodophenyl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-1H-pyrazole-5-carboxylate CAS Name: 3-[[5-(4-iodophenyl)-5-methyl-2-oxo-3-oxolanyl]amino]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-iodophenyl)-5-methyl-2-oxooxolan-3-yl]amino]-1H-pyrazole-5-carboxylate Traditional Name: 3-[[5-(4-iodophenyl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C17H18IN3O4 MolecularWeight: 455.24699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)NC2CC(OC2=O)(C)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)NC2CC(OC2=O)(C)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H18IN3O4/c1-3-24-15(22)12-8-14(21-20-12)19-13-9-17(2,25-16(13)23)10-4-6-11(18)7-5-10/h4-8,13H,3,9H2,1-2H3,(H2,19,20,21)