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

Systemtic Name: methyl 8-cyano-2-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: methyl 8-cyano-2-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-2-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid methyl ester IUPAC Name: methyl 8-cyano-2-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 8-cyano-2-keto-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid methyl ester Formula: C16H11N3O3 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C=C(C(=C2NC1=O)C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN2C=C(C(=C2NC1=O)C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H11N3O3/c1-22-16(21)13-9-19-8-12(10-5-3-2-4-6-10)11(7-17)14(19)18-15(13)20/h2-6,8-9H,1H3,(H,18,20)