5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C18H16N4O4/c1-10-7-11(2)20-18(19-10)22-14(9-13(21-22)17(23)24)12-3-4-15-16(8-12)26-6-5-25-15/h3-4,7-9H,5-6H2,1-2H3,(H,23,24)