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

Systemtic Name: ethyl (2E)-2-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate Openeye Name: ethyl (2E)-2-[[3-oxo-5-(3-pyridyl)-1,2-dihydropyrazol-4-yl]methylene]indole-3-carboxylate CAS Name: (2E)-2-[[3-oxo-5-(3-pyridinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3-oxo-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate Traditional Name: (2E)-2-[[3-keto-5-(3-pyridyl)-3-pyrazolin-4-yl]methylene]indole-3-carboxylic acid ethyl ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CC2=NC1=CC3=C(NNC3=O)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C\1=C2C=CC=CC2=N/C1=C/C3=C(NNC3=O)C4=CN=CC=C4

InChI

InChI=1S/C20H16N4O3/c1-2-27-20(26)17-13-7-3-4-8-15(13)22-16(17)10-14-18(23-24-19(14)25)12-6-5-9-21-11-12/h3-11H,2H2,1H3,(H2,23,24,25)/b16-10+