ethyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-1-ethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-1-ethyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-1-ethyl-pyrazole-4-carboxylate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-1-ethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-1-ethylpyrazole-4-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-1-ethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OCC

InChI

InChI=1S/C17H19N3O5/c1-3-20-9-11(17(22)23-4-2)15(19-20)18-16(21)14-10-24-12-7-5-6-8-13(12)25-14/h5-9,14H,3-4,10H2,1-2H3,(H,18,19,21)