[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C24H19N3O6 MolecularWeight: 445.42416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H19N3O6/c1-15-7-9-20(33-15)23-18(12-27(26-23)17-5-3-2-4-6-17)24(29)30-13-22(28)25-16-8-10-19-21(11-16)32-14-31-19/h2-12H,13-14H2,1H3,(H,25,28)