diethyl (2Z)-2-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl (2Z)-2-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate Openeye Name: diethyl (2Z)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylene]pyrrole-3,4-dicarboxylate CAS Name: (2Z)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2Z)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate Traditional Name: (2Z)-2-[(3-keto-5-phenethyl-3-pyrazolin-4-yl)methylene]pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)CCC3=CC=CC=C3)N=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(/C(=C/C2=C(NNC2=O)CCC3=CC=CC=C3)/N=C1)C(=O)OCC

InChI

InChI=1S/C22H23N3O5/c1-3-29-21(27)16-13-23-18(19(16)22(28)30-4-2)12-15-17(24-25-20(15)26)11-10-14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,24,25,26)/b18-12-