4-[[(3R)-3,6-dimethyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate

Systemtic Name: 4-[[(3R)-3,6-dimethyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate Openeye Name: 4-[[(3R)-3,6-dimethyl-1-oxo-isochromane-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3R)-3,6-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(3R)-3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-1-keto-3,6-dimethyl-isochroman-3-carbonyl]amino]benzoate Formula: C19H16NO5- MolecularWeight: 338.33404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)O[C@@](C2)(C)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H17NO5/c1-11-3-8-15-13(9-11)10-19(2,25-17(15)23)18(24)20-14-6-4-12(5-7-14)16(21)22/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)/p-1/t19-/m1/s1