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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate Openeye Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=C(NN=C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=C(NN=C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21N3O5/c1-18(2,3)20-15(22)10-26-17(23)12-9-19-21-16(12)11-4-5-13-14(8-11)25-7-6-24-13/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,21)(H,20,22)