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

Systemtic Name: ethyl 8-cyano-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 8-cyano-4-keto-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3/c1-2-23-17(22)13-9-19-15-12(8-18)14(10-20(15)16(13)21)11-6-4-3-5-7-11/h3-7,9-10,19H,2H2,1H3