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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 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-(cyclopropylamino)-2-keto-ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H17N3O5/c21-15(19-11-2-3-11)9-25-17(22)12-8-18-20-16(12)10-1-4-13-14(7-10)24-6-5-23-13/h1,4,7-8,11H,2-3,5-6,9H2,(H,18,20)(H,19,21)