3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methanoyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methanoyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-formyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-formyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-formylpyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-formyl-pyrazol-1-yl]propionic acid Formula: C15H14N2O5 MolecularWeight: 302.28206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5/c18-9-11-8-17(4-3-14(19)20)16-15(11)10-1-2-12-13(7-10)22-6-5-21-12/h1-2,7-9H,3-6H2,(H,19,20)