4-[2-[(6-oxidanylidenepyran-3-yl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(6-oxidanylidenepyran-3-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(6-oxopyran-3-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[oxo-(6-oxo-3-pyranyl)methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(6-oxopyran-3-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(6-ketopyran-3-carbonyl)amino]ethyl]benzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=COC(=O)C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=COC(=O)C=C2)C(=O)O

InChI

InChI=1S/C15H13NO5/c17-13-6-5-12(9-21-13)14(18)16-8-7-10-1-3-11(4-2-10)15(19)20/h1-6,9H,7-8H2,(H,16,18)(H,19,20)