4-[[(6-oxidanylidenepyran-3-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-oxidanylidenepyran-3-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-oxopyran-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(6-oxo-3-pyranyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-oxopyran-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-ketopyran-3-carbonyl)amino]methyl]benzoic acid Formula: C14H11NO5 MolecularWeight: 273.24084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=COC(=O)C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=COC(=O)C=C2)C(=O)O

InChI

InChI=1S/C14H11NO5/c16-12-6-5-11(8-20-12)13(17)15-7-9-1-3-10(4-2-9)14(18)19/h1-6,8H,7H2,(H,15,17)(H,18,19)