ethyl 1-(1-cyano-4-oxidanylidene-quinolizin-3-yl)-4-oxidanyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(1-cyano-4-oxidanylidene-quinolizin-3-yl)-4-oxidanyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(1-cyano-4-oxo-quinolizin-3-yl)-4-hydroxy-pyrazole-3-carboxylate CAS Name: 1-(1-cyano-4-oxo-3-quinolizinyl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-cyano-4-oxoquinolizin-3-yl)-4-hydroxypyrazole-3-carboxylate Traditional Name: 1-(1-cyano-4-keto-quinolizin-3-yl)-4-hydroxy-pyrazole-3-carboxylic acid ethyl ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1O)C2=CC(=C3C=CC=CN3C2=O)C#N

Isomeric SMILES

CCOC(=O)C1=NN(C=C1O)C2=CC(=C3C=CC=CN3C2=O)C#N

InChI

InChI=1S/C16H12N4O4/c1-2-24-16(23)14-13(21)9-20(18-14)12-7-10(8-17)11-5-3-4-6-19(11)15(12)22/h3-7,9,21H,2H2,1H3