dimethyl 5-[2-(4-chloranylpyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-chloranylpyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-chloropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-chloro-1-pyrazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-chloropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-chloropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C15H14ClN3O5 MolecularWeight: 351.74176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=C(C=N2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=C(C=N2)Cl)C(=O)OC

InChI

InChI=1S/C15H14ClN3O5/c1-23-14(21)9-3-10(15(22)24-2)5-12(4-9)18-13(20)8-19-7-11(16)6-17-19/h3-7H,8H2,1-2H3,(H,18,20)