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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O5/c1-13-17(11-22-24(13)16-6-4-3-5-7-16)21(26)29-14(2)20(25)23-15-8-9-18-19(10-15)28-12-27-18/h3-11,14H,12H2,1-2H3,(H,23,25)