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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxylate Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxylate CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxylate IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxylate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=C(C=NN3)C(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=C(C=NN3)C(=O)[O-])OC1

InChI

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