diethyl (2E)-2-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl (2E)-2-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate Openeye Name: diethyl (2E)-2-[(3-isopropoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]pyrrole-3,4-dicarboxylate CAS Name: (2E)-2-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2E)-2-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate Traditional Name: (2E)-2-[(3-isopropoxy-5-keto-3-pyrazolin-4-yl)methylene]pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)OC(C)C)N=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=C(NNC2=O)OC(C)C)/N=C1)C(=O)OCC

InChI

InChI=1S/C17H21N3O6/c1-5-24-16(22)11-8-18-12(13(11)17(23)25-6-2)7-10-14(21)19-20-15(10)26-9(3)4/h7-9H,5-6H2,1-4H3,(H2,19,20,21)/b12-7+