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

Systemtic Name: [2-(ethylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate Openeye Name: [2-(ethylamino)-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-(ethylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylamino)-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-(ethylamino)-2-keto-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-2-17-14(20)9-24-16(21)11-8-18-19-15(11)10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,17,20)(H,18,19)