3-[[(3R)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate

Systemtic Name: 3-[[(3R)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate Openeye Name: 3-[[(3R)-3-methyl-1-oxo-isochromane-3-carbonyl]amino]benzoate CAS Name: 3-[[[(3R)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[(3R)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate Traditional Name: 3-[[(3R)-1-keto-3-methyl-isochroman-3-carbonyl]amino]benzoate Formula: C18H14NO5- MolecularWeight: 324.30746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H15NO5/c1-18(10-12-5-2-3-8-14(12)16(22)24-18)17(23)19-13-7-4-6-11(9-13)15(20)21/h2-9H,10H2,1H3,(H,19,23)(H,20,21)/p-1/t18-/m1/s1