[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(NN=C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(NN=C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H15N3O5/c1-2-5-18-15(21)10-25-17(22)12-9-19-20-16(12)11-3-4-13-14(8-11)24-7-6-23-13/h1,3-4,8-9H,5-7,10H2,(H,18,21)(H,19,20)