[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N4O6/c1-14-22(15(2)27(26-14)17-6-4-3-5-7-17)25-20(28)12-31-21(29)11-24-23(30)16-8-9-18-19(10-16)33-13-32-18/h3-10H,11-13H2,1-2H3,(H,24,30)(H,25,28)