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

Systemtic Name: ethyl (5E)-5-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[[3-oxo-5-(3-pyridyl)-1,2-dihydropyrazol-4-yl]methylene]pyrrole-3-carboxylate CAS Name: (5E)-5-[[3-oxo-5-(3-pyridinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(3-oxo-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Traditional Name: (5E)-5-[[3-keto-5-(3-pyridyl)-3-pyrazolin-4-yl]methylene]pyrrole-3-carboxylic acid ethyl ester Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3/c1-2-23-16(22)11-6-12(18-9-11)7-13-14(19-20-15(13)21)10-4-3-5-17-8-10/h3-9H,2H2,1H3,(H2,19,20,21)/b12-7+