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

Systemtic Name: ethyl (5E)-5-[[3-(3-aminophenyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]methylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[[3-(3-aminophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: (5E)-5-[[3-(3-aminophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[[3-(3-aminophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: (5E)-5-[[3-(3-aminophenyl)-5-keto-3-pyrazolin-4-yl]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)C3=CC(=CC=C3)N)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=C(NNC2=O)C3=CC(=CC=C3)N)/N=C1C)C

InChI

InChI=1S/C19H20N4O3/c1-4-26-19(25)16-10(2)15(21-11(16)3)9-14-17(22-23-18(14)24)12-6-5-7-13(20)8-12/h5-9H,4,20H2,1-3H3,(H2,22,23,24)/b15-9+