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

Systemtic Name: ethyl (5E)-2,4-dimethyl-5-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Openeye Name: ethyl (5E)-2,4-dimethyl-5-[[3-oxo-5-(3-pyridyl)-1,2-dihydropyrazol-4-yl]methylene]pyrrole-3-carboxylate CAS Name: (5E)-2,4-dimethyl-5-[[3-oxo-5-(3-pyridinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2,4-dimethyl-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]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-4-25-18(24)15-10(2)14(20-11(15)3)8-13-16(21-22-17(13)23)12-6-5-7-19-9-12/h5-9H,4H2,1-3H3,(H2,21,22,23)/b14-8+