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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylic acid Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C18H14N2O4/c21-18(22)14-11-20(13-4-2-1-3-5-13)19-17(14)12-6-7-15-16(10-12)24-9-8-23-15/h1-7,10-11H,8-9H2,(H,21,22)