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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=COC(=O)C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=COC(=O)C=C2

InChI

InChI=1S/C14H11NO5/c1-8-6-9(14(18)19)2-4-11(8)15-13(17)10-3-5-12(16)20-7-10/h2-7H,1H3,(H,15,17)(H,18,19)