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

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-3-pyridazinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NN=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H14N4O4/c1-10-2-5-16(19-18-10)21-13(9-12(20-21)17(22)23)11-3-4-14-15(8-11)25-7-6-24-14/h2-5,8-9H,6-7H2,1H3,(H,22,23)