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

Systemtic Name: ethyl 8-cyano-4-oxidanylidene-7-phenyl-1-prop-2-enyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 1-allyl-8-cyano-4-oxo-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-4-oxo-7-phenyl-1-prop-2-enyl-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-4-oxo-7-phenyl-1-prop-2-enylpyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 1-allyl-8-cyano-4-keto-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)CC=C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)CC=C

InChI

InChI=1S/C20H17N3O3/c1-3-10-22-12-17(20(25)26-4-2)19(24)23-13-16(15(11-21)18(22)23)14-8-6-5-7-9-14/h3,5-9,12-13H,1,4,10H2,2H3