5-[(4-oxidanyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-oxidanyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-hydroxy-6-oxo-2-phenyl-hexahydropyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-hydroxy-6-oxo-2-phenyl-1,3-diazinan-5-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-hydroxy-6-oxo-2-phenyl-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-hydroxy-6-keto-2-phenyl-hexahydropyrimidin-5-yl)methyl]-2-furoic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2NC(C(C(=O)N2)CC3=CC=C(O3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2NC(C(C(=O)N2)CC3=CC=C(O3)C(=O)O)O

InChI

InChI=1S/C16H16N2O5/c19-14-11(8-10-6-7-12(23-10)16(21)22)15(20)18-13(17-14)9-4-2-1-3-5-9/h1-7,11,13-14,17,19H,8H2,(H,18,20)(H,21,22)