2-methyl-5-[(4-methylidene-5-oxidanylidene-2-phenyl-oxolan-2-yl)methoxy]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(4-methylidene-5-oxidanylidene-2-phenyl-oxolan-2-yl)methoxy]pyrazole-3-carboxylic acid Openeye Name: 2-methyl-5-[(4-methylene-5-oxo-2-phenyl-tetrahydrofuran-2-yl)methoxy]pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-[(4-methylene-5-oxo-2-phenyl-2-oxolanyl)methoxy]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-5-[(4-methylidene-5-oxo-2-phenyloxolan-2-yl)methoxy]pyrazole-3-carboxylic acid Traditional Name: 5-[(5-keto-4-methylene-2-phenyl-tetrahydrofuran-2-yl)methoxy]-2-methyl-pyrazole-3-carboxylic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)OCC2(CC(=C)C(=O)O2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=CC(=N1)OCC2(CC(=C)C(=O)O2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H16N2O5/c1-11-9-17(24-16(11)22,12-6-4-3-5-7-12)10-23-14-8-13(15(20)21)19(2)18-14/h3-8H,1,9-10H2,2H3,(H,20,21)