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

Systemtic Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxo-3-oxolanyl]amino]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxooxolan-3-yl]amino]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[[5-(2,5-dimethoxyphenyl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carboxylic acid Formula: C17H19N3O6 MolecularWeight: 361.34926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-17(11-6-9(24-2)4-5-13(11)25-3)7-12(16(23)26-17)19-14-10(15(21)22)8-18-20-14/h4-6,8,12H,7H2,1-3H3,(H,21,22)(H2,18,19,20)