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

Systemtic Name: dimethyl 5-[[1-[(3-chloranylphenoxy)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(3-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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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)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6/c1-29-20(27)13-8-14(21(28)30-2)10-16(9-13)23-19(26)18-6-7-25(24-18)12-31-17-5-3-4-15(22)11-17/h3-11H,12H2,1-2H3,(H,23,26)