3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-5-carboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)O)OC1

InChI

InChI=1S/C13H12N2O4/c16-13(17)10-7-9(14-15-10)8-2-3-11-12(6-8)19-5-1-4-18-11/h2-3,6-7H,1,4-5H2,(H,14,15)(H,16,17)