8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1-prop-2-enyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid

Systemtic Name: 8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1-prop-2-enyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 1-allyl-8-cyano-7-(4-fluorophenyl)-4-oxo-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 8-cyano-7-(4-fluorophenyl)-4-oxo-1-prop-2-enyl-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 8-cyano-7-(4-fluorophenyl)-4-oxo-1-prop-2-enylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 1-allyl-8-cyano-7-(4-fluorophenyl)-4-keto-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Formula: C18H12FN3O3 MolecularWeight: 337.304583

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C(=O)N2C1=C(C(=C2)C3=CC=C(C=C3)F)C#N)C(=O)O

Isomeric SMILES

C=CCN1C=C(C(=O)N2C1=C(C(=C2)C3=CC=C(C=C3)F)C#N)C(=O)O

InChI

InChI=1S/C18H12FN3O3/c1-2-7-21-9-15(18(24)25)17(23)22-10-14(13(8-20)16(21)22)11-3-5-12(19)6-4-11/h2-6,9-10H,1,7H2,(H,24,25)