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

Systemtic Name: 5-[(4-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-oxo-2-phenyl-hexahydropyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-oxo-2-phenyl-1,3-diazinan-5-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-oxo-2-phenyl-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-keto-2-phenyl-hexahydropyrimidin-5-yl)methyl]-2-furoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(N1)C2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1C(C(=O)NC(N1)C2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H16N2O4/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/h1-7,11,14,17H,8-9H2,(H,18,19)(H,20,21)