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

Systemtic Name: 2-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Openeye Name: 2-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid CAS Name: 2-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Traditional Name: 2-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O4/c19-12-2-4-13(5-3-12)21-15(18(22)23)10-14(20-21)11-1-6-16-17(9-11)25-8-7-24-16/h1-6,9-10H,7-8H2,(H,22,23)