5-oxidanyl-4-oxidanylidene-6-[[(phenylmethyl)amino]methyl]pyran-2-carboxylic acid hydrate

Systemtic Name: 5-oxidanyl-4-oxidanylidene-6-[[(phenylmethyl)amino]methyl]pyran-2-carboxylic acid hydrate Openeye Name: 6-[(benzylamino)methyl]-5-hydroxy-4-oxo-pyran-2-carboxylic acid hydrate CAS Name: 5-hydroxy-4-oxo-6-[[(phenylmethyl)amino]methyl]-2-pyrancarboxylic acid hydrate IUPAC Name: 6-[(benzylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid hydrate Traditional Name: 6-[(benzylamino)methyl]-5-hydroxy-4-keto-pyran-2-carboxylic acid hydrate Formula: C14H15NO6 MolecularWeight: 293.272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=C(C(=O)C=C(O2)C(=O)O)O.O

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=C(C(=O)C=C(O2)C(=O)O)O.O

InChI

InChI=1S/C14H13NO5.H2O/c16-10-6-11(14(18)19)20-12(13(10)17)8-15-7-9-4-2-1-3-5-9;/h1-6,15,17H,7-8H2,(H,18,19);1H2