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

Systemtic Name: 8-cyano-1-methyl-4-oxidanylidene-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 8-cyano-1-methyl-4-oxo-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 8-cyano-1-methyl-4-oxo-7-phenyl-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 8-cyano-1-methyl-4-oxo-7-phenylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 8-cyano-4-keto-1-methyl-7-phenyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid Formula: C16H11N3O3 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N2C1=C(C(=C2)C3=CC=CC=C3)C#N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)N2C1=C(C(=C2)C3=CC=CC=C3)C#N)C(=O)O

InChI

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