dimethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17N3O7 MolecularWeight: 423.37558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C21H17N3O7/c1-28-20(26)12-5-13(21(27)29-2)7-14(6-12)22-19(25)16-9-15(23-24-16)11-3-4-17-18(8-11)31-10-30-17/h3-9H,10H2,1-2H3,(H,22,25)(H,23,24)