5-[(6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(6-oxo-2-phenyl-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(6-oxo-2-phenyl-1H-pyrimidin-5-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(6-oxo-2-phenyl-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(6-keto-2-phenyl-1H-pyrimidin-5-yl)methyl]-2-furoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=O)N2)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=O)N2)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H12N2O4/c19-15-11(8-12-6-7-13(22-12)16(20)21)9-17-14(18-15)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,21)(H,17,18,19)