ethyl (5E)-5-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylene]pyrrole-3-carboxylate CAS Name: (5E)-5-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Traditional Name: (5E)-5-[(3-keto-5-phenethyl-3-pyrazolin-4-yl)methylene]pyrrole-3-carboxylic acid ethyl ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-2-25-19(24)14-10-15(20-12-14)11-16-17(21-22-18(16)23)9-8-13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H2,21,22,23)/b15-11+