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

Systemtic Name: dimethyl 5-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[1-(phenoxymethyl)-3-pyrazolyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O6/c1-28-20(26)14-10-15(21(27)29-2)12-16(11-14)22-19(25)18-8-9-24(23-18)13-30-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,22,25)