[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19N3O5/c1-14-17(12-22-24(14)16-5-3-2-4-6-16)21(26)29-13-20(25)23-15-7-8-18-19(11-15)28-10-9-27-18/h2-8,11-12H,9-10,13H2,1H3,(H,23,25)