dimethyl 4-pyrazol-1-ylbenzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-pyrazol-1-ylbenzene-1,2-dicarboxylate Openeye Name: dimethyl 4-pyrazol-1-ylbenzene-1,2-dicarboxylate CAS Name: 4-(1-pyrazolyl)benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-pyrazol-1-ylbenzene-1,2-dicarboxylate Traditional Name: 4-pyrazol-1-ylbenzene-1,2-dicarboxylic acid dimethyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N2C=CC=N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N2C=CC=N2)C(=O)OC

InChI

InChI=1S/C13H12N2O4/c1-18-12(16)10-5-4-9(15-7-3-6-14-15)8-11(10)13(17)19-2/h3-8H,1-2H3