ethyl 8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 8-cyano-7-(4-fluorophenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-7-(4-fluorophenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-7-(4-fluorophenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 8-cyano-7-(4-fluorophenyl)-4-keto-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C17H12FN3O3 MolecularWeight: 325.293883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C(=CN2C1=O)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C(=CN2C1=O)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C17H12FN3O3/c1-2-24-17(23)13-8-20-15-12(7-19)14(9-21(15)16(13)22)10-3-5-11(18)6-4-10/h3-6,8-9,20H,2H2,1H3