4-[5-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]benzoic acid Openeye Name: 4-[2-acetyl-5-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-3-yl]benzoic acid CAS Name: 4-[2-acetyl-5-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-3-yl]benzoic acid IUPAC Name: 4-[2-acetyl-5-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-3-yl]benzoic acid Traditional Name: 4-[2-acetyl-5-(1,3-benzodioxol-5-yl)-2-pyrazolin-3-yl]benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H16N2O5/c1-11(22)21-16(12-2-4-13(5-3-12)19(23)24)9-15(20-21)14-6-7-17-18(8-14)26-10-25-17/h2-8,16H,9-10H2,1H3,(H,23,24)