diethyl 1-(4-cyano-1-ethanoyl-pyrazol-3-yl)-4-ethanoyl-pyrrole-2,3-dicarboxylate

Systemtic Name: diethyl 1-(4-cyano-1-ethanoyl-pyrazol-3-yl)-4-ethanoyl-pyrrole-2,3-dicarboxylate Openeye Name: diethyl 4-acetyl-1-(1-acetyl-4-cyano-pyrazol-3-yl)pyrrole-2,3-dicarboxylate CAS Name: 4-acetyl-1-(1-acetyl-4-cyano-3-pyrazolyl)pyrrole-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-acetyl-1-(1-acetyl-4-cyanopyrazol-3-yl)pyrrole-2,3-dicarboxylate Traditional Name: 4-acetyl-1-(1-acetyl-4-cyano-pyrazol-3-yl)pyrrole-2,3-dicarboxylic acid diethyl ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=C1C(=O)C)C2=NN(C=C2C#N)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C=C1C(=O)C)C2=NN(C=C2C#N)C(=O)C)C(=O)OCC

InChI

InChI=1S/C18H18N4O6/c1-5-27-17(25)14-13(10(3)23)9-21(15(14)18(26)28-6-2)16-12(7-19)8-22(20-16)11(4)24/h8-9H,5-6H2,1-4H3