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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-4-carboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C(=O)O

InChI

InChI=1S/C13H12N2O4/c1-15-7-9(13(16)17)12(14-15)8-2-3-10-11(6-8)19-5-4-18-10/h2-3,6-7H,4-5H2,1H3,(H,16,17)