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

Systemtic Name: 8-cyano-4-oxidanylidene-7-phenyl-1-prop-2-enyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 1-allyl-8-cyano-4-oxo-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 8-cyano-4-oxo-7-phenyl-1-prop-2-enyl-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 8-cyano-4-oxo-7-phenyl-1-prop-2-enylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 1-allyl-8-cyano-4-keto-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3/c1-2-8-20-10-15(18(23)24)17(22)21-11-14(13(9-19)16(20)21)12-6-4-3-5-7-12/h2-7,10-11H,1,8H2,(H,23,24)