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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-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-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O5/c27-22(24-16-8-9-20-21(12-16)30-11-10-29-20)14-31-23(28)19-13-18(15-6-7-15)25-26(19)17-4-2-1-3-5-17/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H,24,27)